[2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-pyrrol-1-yl-benzoate

Systemtic Name: [2-[(2-chloranyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-methyl-3-pyrrol-1-yl-benzoate Openeye Name: [2-(2-chloro-4-nitro-anilino)-2-oxo-ethyl] 4-methyl-3-pyrrol-1-yl-benzoate CAS Name: 4-methyl-3-(1-pyrrolyl)benzoic acid [2-(2-chloro-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-4-nitroanilino)-2-oxoethyl] 4-methyl-3-pyrrol-1-ylbenzoate Traditional Name: 4-methyl-3-pyrrol-1-yl-benzoic acid [2-(2-chloro-4-nitro-anilino)-2-keto-ethyl] ester Formula: C20H16ClN3O5 MolecularWeight: 413.81114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)N3C=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Cl)N3C=CC=C3

InChI

InChI=1S/C20H16ClN3O5/c1-13-4-5-14(10-18(13)23-8-2-3-9-23)20(26)29-12-19(25)22-17-7-6-15(24(27)28)11-16(17)21/h2-11H,12H2,1H3,(H,22,25)