ethyl 2-[4-butyl-1-methyl-5-(4-nitrophenyl)carbonyl-pyrrol-2-yl]ethanoate

Systemtic Name: ethyl 2-[4-butyl-1-methyl-5-(4-nitrophenyl)carbonyl-pyrrol-2-yl]ethanoate Openeye Name: ethyl 2-[4-butyl-1-methyl-5-(4-nitrobenzoyl)pyrrol-2-yl]acetate CAS Name: 2-[4-butyl-1-methyl-5-[(4-nitrophenyl)-oxomethyl]-2-pyrrolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-butyl-1-methyl-5-(4-nitrobenzoyl)pyrrol-2-yl]acetate Traditional Name: 2-[4-butyl-1-methyl-5-(4-nitrobenzoyl)pyrrol-2-yl]acetic acid ethyl ester Formula: C20H24N2O5 MolecularWeight: 372.41496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C(=C1)CC(=O)OCC)C)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=C(N(C(=C1)CC(=O)OCC)C)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H24N2O5/c1-4-6-7-15-12-17(13-18(23)27-5-2)21(3)19(15)20(24)14-8-10-16(11-9-14)22(25)26/h8-12H,4-7,13H2,1-3H3