ethyl (E)-4-[5-ethyl-1-methyl-4-(3-nitrophenyl)carbonyl-pyrrol-2-yl]but-2-enoate

Systemtic Name: ethyl (E)-4-[5-ethyl-1-methyl-4-(3-nitrophenyl)carbonyl-pyrrol-2-yl]but-2-enoate Openeye Name: ethyl (E)-4-[5-ethyl-1-methyl-4-(3-nitrobenzoyl)pyrrol-2-yl]but-2-enoate CAS Name: (E)-4-[5-ethyl-1-methyl-4-[(3-nitrophenyl)-oxomethyl]-2-pyrrolyl]-2-butenoic acid ethyl ester IUPAC Name: ethyl (E)-4-[5-ethyl-1-methyl-4-(3-nitrobenzoyl)pyrrol-2-yl]but-2-enoate Traditional Name: (E)-4-[5-ethyl-1-methyl-4-(3-nitrobenzoyl)pyrrol-2-yl]but-2-enoic acid ethyl ester Formula: C20H22N2O5 MolecularWeight: 370.39908

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(N1C)CC=CC(=O)OCC)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C=C(N1C)C/C=C/C(=O)OCC)C(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H22N2O5/c1-4-18-17(20(24)14-8-6-10-16(12-14)22(25)26)13-15(21(18)3)9-7-11-19(23)27-5-2/h6-8,10-13H,4-5,9H2,1-3H3/b11-7+