[2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate

Systemtic Name: [2-[(5-chloranyl-2-cyano-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate Openeye Name: [2-(5-chloro-2-cyano-anilino)-2-oxo-ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(4-nitrophenyl)-2-propenoic acid [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-chloro-2-cyanoanilino)-2-oxoethyl] (E)-3-(4-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-nitrophenyl)acrylic acid [2-(5-chloro-2-cyano-anilino)-2-keto-ethyl] ester Formula: C18H12ClN3O5 MolecularWeight: 385.75798

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)OCC(=O)NC2=C(C=CC(=C2)Cl)C#N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClN3O5/c19-14-5-4-13(10-20)16(9-14)21-17(23)11-27-18(24)8-3-12-1-6-15(7-2-12)22(25)26/h1-9H,11H2,(H,21,23)/b8-3+