[1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3,4,5-tris(oxidanyl)benzoate

Systemtic Name: [1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3,4,5-tris(oxidanyl)benzoate Openeye Name: [1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 3,4,5-trihydroxybenzoate CAS Name: 3,4,5-trihydroxybenzoic acid [1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-nitroanilino)-1-oxopropan-2-yl] 3,4,5-trihydroxybenzoate Traditional Name: 3,4,5-trihydroxybenzoic acid [2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C16H14N2O8 MolecularWeight: 362.29096

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC(=C(C(=C2)O)O)O

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)[N+](=O)[O-])OC(=O)C2=CC(=C(C(=C2)O)O)O

InChI

InChI=1S/C16H14N2O8/c1-8(15(22)17-10-3-2-4-11(7-10)18(24)25)26-16(23)9-5-12(19)14(21)13(20)6-9/h2-8,19-21H,1H3,(H,17,22)