(3-methyl-1H-pyrrol-2-yl) 2-[2-chloranyl-5-(4-methylphenyl)carbonyl-4-nitro-phenyl]ethanoate

Systemtic Name: (3-methyl-1H-pyrrol-2-yl) 2-[2-chloranyl-5-(4-methylphenyl)carbonyl-4-nitro-phenyl]ethanoate Openeye Name: (3-methyl-1H-pyrrol-2-yl) 2-[2-chloro-5-(4-methylbenzoyl)-4-nitro-phenyl]acetate CAS Name: 2-[2-chloro-5-[(4-methylphenyl)-oxomethyl]-4-nitrophenyl]acetic acid (3-methyl-1H-pyrrol-2-yl) ester IUPAC Name: (3-methyl-1H-pyrrol-2-yl) 2-[2-chloro-5-(4-methylbenzoyl)-4-nitrophenyl]acetate Traditional Name: 2-(2-chloro-4-nitro-5-p-toluoyl-phenyl)acetic acid (3-methyl-1H-pyrrol-2-yl) ester Formula: C21H17ClN2O5 MolecularWeight: 412.82308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2[N+](=O)[O-])Cl)CC(=O)OC3=C(C=CN3)C

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2[N+](=O)[O-])Cl)CC(=O)OC3=C(C=CN3)C

InChI

InChI=1S/C21H17ClN2O5/c1-12-3-5-14(6-4-12)20(26)16-9-15(17(22)11-18(16)24(27)28)10-19(25)29-21-13(2)7-8-23-21/h3-9,11,23H,10H2,1-2H3