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

Systemtic Name: [4-[(E)-2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-chloranyl-3-nitro-benzoate Openeye Name: [4-[(E)-2-cyano-3-methoxy-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-chloro-3-nitro-benzoate CAS Name: 4-chloro-3-nitrobenzoic acid [4-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-methoxy-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-chloro-3-nitrobenzoate Traditional Name: 4-chloro-3-nitro-benzoic acid [4-[(E)-2-cyano-3-keto-3-methoxy-prop-1-enyl]-2-methoxy-phenyl] ester Formula: C19H13ClN2O7 MolecularWeight: 416.76872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C(=O)OC)OC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=CC(=C1)/C=C(\C#N)/C(=O)OC)OC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H13ClN2O7/c1-27-17-8-11(7-13(10-21)18(23)28-2)3-6-16(17)29-19(24)12-4-5-14(20)15(9-12)22(25)26/h3-9H,1-2H3/b13-7+