[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 2-nitrobenzoate

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] 2-nitrobenzoate Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C16H10ClN3O5 MolecularWeight: 359.7207

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10ClN3O5/c17-11-6-5-10(8-18)13(7-11)19-15(21)9-25-16(22)12-3-1-2-4-14(12)20(23)24/h1-7H,9H2,(H,19,21)