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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H12ClN3O5/c19-16-9-14(6-5-13(16)10-20)21-17(23)11-27-18(24)7-4-12-2-1-3-15(8-12)22(25)26/h1-9H,11H2,(H,21,23)/b7-4+