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

Systemtic Name: ethyl 5-[(E)-2-cyano-3-[4-(dimethylamino)-3-nitro-phenyl]prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(E)-2-cyano-3-[4-(dimethylamino)-3-nitro-phenyl]prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(E)-2-cyano-3-[4-(dimethylamino)-3-nitrophenyl]-1-oxoprop-2-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-2-cyano-3-[4-(dimethylamino)-3-nitrophenyl]prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(E)-2-cyano-3-[4-(dimethylamino)-3-nitro-phenyl]acryloyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O5/c1-6-30-21(27)18-12(2)19(23-13(18)3)20(26)15(11-22)9-14-7-8-16(24(4)5)17(10-14)25(28)29/h7-10,23H,6H2,1-5H3/b15-9+