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

Systemtic Name: ethyl 4-[(E)-2-cyano-3-(4-ethyl-3-nitro-phenyl)prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 4-[(E)-2-cyano-3-(4-ethyl-3-nitro-phenyl)prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 4-[(E)-2-cyano-3-(4-ethyl-3-nitrophenyl)-1-oxoprop-2-enyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[(E)-2-cyano-3-(4-ethyl-3-nitrophenyl)prop-2-enoyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 4-[(E)-2-cyano-3-(4-ethyl-3-nitro-phenyl)acryloyl]-2,5-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)C=C(C#N)C(=O)C2=C(NC(=C2C(=O)OCC)C)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)C2=C(NC(=C2C(=O)OCC)C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O5/c1-5-15-8-7-14(10-17(15)24(27)28)9-16(11-22)20(25)18-12(3)23-13(4)19(18)21(26)29-6-2/h7-10,23H,5-6H2,1-4H3/b16-9+