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

Systemtic Name: [4-(2-cyano-3-methoxy-3-oxidanylidene-prop-1-enyl)-2-methoxy-phenyl] 3-methyl-4-nitro-benzoate Openeye Name: [4-(2-cyano-3-methoxy-3-oxo-prop-1-enyl)-2-methoxy-phenyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [4-(2-cyano-3-methoxy-3-oxoprop-1-enyl)-2-methoxyphenyl] ester IUPAC Name: [4-(2-cyano-3-methoxy-3-oxoprop-1-enyl)-2-methoxyphenyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [4-(2-cyano-3-keto-3-methoxy-prop-1-enyl)-2-methoxy-phenyl] ester Formula: C20H16N2O7 MolecularWeight: 396.35024

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)OC2=C(C=C(C=C2)C=C(C#N)C(=O)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H16N2O7/c1-12-8-14(5-6-16(12)22(25)26)20(24)29-17-7-4-13(10-18(17)27-2)9-15(11-21)19(23)28-3/h4-10H,1-3H3