[1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-ethoxy-3-nitro-benzoate

Systemtic Name: [1-[(3-cyanophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-ethoxy-3-nitro-benzoate Openeye Name: [2-(3-cyanoanilino)-1-methyl-2-oxo-ethyl] 4-ethoxy-3-nitro-benzoate CAS Name: 4-ethoxy-3-nitrobenzoic acid [1-(3-cyanoanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-cyanoanilino)-1-oxopropan-2-yl] 4-ethoxy-3-nitrobenzoate Traditional Name: 4-ethoxy-3-nitro-benzoic acid [2-(3-cyanoanilino)-2-keto-1-methyl-ethyl] ester Formula: C19H17N3O6 MolecularWeight: 383.35478

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=CC(=C2)C#N)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OC(C)C(=O)NC2=CC=CC(=C2)C#N)[N+](=O)[O-]

InChI

InChI=1S/C19H17N3O6/c1-3-27-17-8-7-14(10-16(17)22(25)26)19(24)28-12(2)18(23)21-15-6-4-5-13(9-15)11-20/h4-10,12H,3H2,1-2H3,(H,21,23)