[4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-nitrobenzoate

Systemtic Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxidanylidene-prop-1-enyl]-2-methoxy-phenyl] 4-nitrobenzoate Openeye Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxo-prop-1-enyl]-2-methoxy-phenyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] ester IUPAC Name: [4-[(E)-2-cyano-3-(2-methoxyethylamino)-3-oxoprop-1-enyl]-2-methoxyphenyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [4-[(E)-2-cyano-3-keto-3-(2-methoxyethylamino)prop-1-enyl]-2-methoxy-phenyl] ester Formula: C21H19N3O7 MolecularWeight: 425.39146

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N3O7/c1-29-10-9-23-20(25)16(13-22)11-14-3-8-18(19(12-14)30-2)31-21(26)15-4-6-17(7-5-15)24(27)28/h3-8,11-12H,9-10H2,1-2H3,(H,23,25)/b16-11+