[2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-[(2-chlorophenyl)methylamino]-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(1H-pyrrol-2-yl)ethyl] 2-[(2-chlorophenyl)methylamino]-5-nitro-benzoate Openeye Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(2-chlorophenyl)methylamino]-5-nitro-benzoate CAS Name: 2-[(2-chlorophenyl)methylamino]-5-nitrobenzoic acid [2-oxo-2-(1H-pyrrol-2-yl)ethyl] ester IUPAC Name: [2-oxo-2-(1H-pyrrol-2-yl)ethyl] 2-[(2-chlorophenyl)methylamino]-5-nitrobenzoate Traditional Name: 2-[(2-chlorobenzyl)amino]-5-nitro-benzoic acid [2-keto-2-(1H-pyrrol-2-yl)ethyl] ester Formula: C20H16ClN3O5 MolecularWeight: 413.81114

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)C3=CC=CN3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)C3=CC=CN3)Cl

InChI

InChI=1S/C20H16ClN3O5/c21-16-5-2-1-4-13(16)11-23-17-8-7-14(24(27)28)10-15(17)20(26)29-12-19(25)18-6-3-9-22-18/h1-10,22-23H,11-12H2