ethyl 4-[(E)-2-cyano-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 4-[(E)-2-cyano-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[(E)-2-cyano-3-(4,5-dimethoxy-2-nitro-phenyl)prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[(E)-2-cyano-3-(4,5-dimethoxy-2-nitrophenyl)-1-oxoprop-2-enyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-2-cyano-3-(4,5-dimethoxy-2-nitrophenyl)prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[(E)-2-cyano-3-(4,5-dimethoxy-2-nitro-phenyl)acryloyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H21N3O7 MolecularWeight: 427.40734

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C(=O)C(=CC2=CC(=C(C=C2[N+](=O)[O-])OC)OC)C#N)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C(=O)/C(=C/C2=CC(=C(C=C2[N+](=O)[O-])OC)OC)/C#N)C)C

InChI

InChI=1S/C21H21N3O7/c1-6-31-21(26)19-12(3)23-11(2)18(19)20(25)14(10-22)7-13-8-16(29-4)17(30-5)9-15(13)24(27)28/h7-9,23H,6H2,1-5H3/b14-7+