4-nitrophenyl-3-ketovalidamine

Chemical Formula:

C₁₃H₁₆N₂O₆

Molecular Weight:

296.279 Daltons

Monoisotopic Mass:

297.10866128870003 Daltons

SMILES:

C(C1(C(C(C(C(C1)NC2(C=CC(=CC=2)[N+]([O-])=O))O)=O)O))O

InChI:

1S/C13H16N2O6/c16-6-7-5-10(12(18)13(19)11(7)17)14-8-1-3-9(4-2-8)15(20)21/h1-4,7,10-12,14,16-18H,5-6H2/t7-,10?,11?,12?/m1/s1

InChIKey:

JYWZXKMMEIJNKK-KZNFKZEASA-N

Synonyms

Databases

MetaCyc: 4-NITROPHENYL-3-KETOVALIDAMINE

ChEBI: 15984

PubChem (CID): 25244973

KEGG: C03995

Seed: cpd02478

MetaNetX: MNXM4694