[4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 3,4-bis(chloranyl)benzoate

Systemtic Name: [4-[(E)-3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 3,4-bis(chloranyl)benzoate Openeye Name: [4-[(E)-3-amino-2-cyano-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 3,4-dichlorobenzoate CAS Name: 3,4-dichlorobenzoic acid [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-3-amino-2-cyano-3-oxoprop-1-enyl]-2-methoxyphenyl] 3,4-dichlorobenzoate Traditional Name: 3,4-dichlorobenzoic acid [4-[(E)-3-amino-2-cyano-3-keto-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C18H12Cl2N2O4 MolecularWeight: 391.20488

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)N)OC(=O)C2=CC(=C(C=C2)Cl)Cl

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)N)OC(=O)C2=CC(=C(C=C2)Cl)Cl

InChI

InChI=1S/C18H12Cl2N2O4/c1-25-16-7-10(6-12(9-21)17(22)23)2-5-15(16)26-18(24)11-3-4-13(19)14(20)8-11/h2-8H,1H3,(H2,22,23)/b12-6+