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

Systemtic Name: ethyl 5-[(E)-2-cyano-3-[4-(methylamino)-3-nitro-phenyl]prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(E)-2-cyano-3-[4-(methylamino)-3-nitro-phenyl]prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(E)-2-cyano-3-[4-(methylamino)-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-(methylamino)-3-nitrophenyl]prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(E)-2-cyano-3-[4-(methylamino)-3-nitro-phenyl]acryloyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C20H20N4O5 MolecularWeight: 396.3966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O5/c1-5-29-20(26)17-11(2)18(23-12(17)3)19(25)14(10-21)8-13-6-7-15(22-4)16(9-13)24(27)28/h6-9,22-23H,5H2,1-4H3/b14-8+