[2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [2-[(3-chloranyl-4-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-(3-chloro-4-cyano-anilino)-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(3-chloro-4-cyanoanilino)-2-oxoethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-(3-chloro-4-cyano-anilino)-2-keto-ethyl] ester Formula: C17H12ClN3O5 MolecularWeight: 373.74728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H12ClN3O5/c1-10-6-11(3-5-15(10)21(24)25)17(23)26-9-16(22)20-13-4-2-12(8-19)14(18)7-13/h2-7H,9H2,1H3,(H,20,22)