[1-[(2-cyano-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-oxidanylbenzoate

Systemtic Name: [1-[(2-cyano-4-nitro-phenyl)amino]-1-oxidanylidene-propan-2-yl] 3-oxidanylbenzoate Openeye Name: [2-(2-cyano-4-nitro-anilino)-1-methyl-2-oxo-ethyl] 3-hydroxybenzoate CAS Name: 3-hydroxybenzoic acid [1-(2-cyano-4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-cyano-4-nitroanilino)-1-oxopropan-2-yl] 3-hydroxybenzoate Traditional Name: 3-hydroxybenzoic acid [2-(2-cyano-4-nitro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C17H13N3O6 MolecularWeight: 355.30162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H13N3O6/c1-10(26-17(23)11-3-2-4-14(21)8-11)16(22)19-15-6-5-13(20(24)25)7-12(15)9-18/h2-8,10,21H,1H3,(H,19,22)