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

Systemtic Name: ethyl 5-[(E)-2-cyano-3-(3-nitro-4-pyrrolidin-1-yl-phenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(E)-2-cyano-3-(3-nitro-4-pyrrolidin-1-yl-phenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[(E)-2-cyano-3-[3-nitro-4-(1-pyrrolidinyl)phenyl]-1-oxoprop-2-enyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(E)-2-cyano-3-(3-nitro-4-pyrrolidin-1-ylphenyl)prop-2-enoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(E)-2-cyano-3-(3-nitro-4-pyrrolidino-phenyl)acryloyl]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C23H24N4O5 MolecularWeight: 436.46046

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)C(=O)C(=CC2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])C#N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)C(=O)/C(=C/C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])/C#N)C

InChI

InChI=1S/C23H24N4O5/c1-4-32-23(29)20-14(2)21(25-15(20)3)22(28)17(13-24)11-16-7-8-18(19(12-16)27(30)31)26-9-5-6-10-26/h7-8,11-12,25H,4-6,9-10H2,1-3H3/b17-11+