[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: [2-(4-chloroanilino)-2-oxo-ethyl] 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid [2-(4-chloroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloroanilino)-2-oxoethyl] 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid [2-(4-chloroanilino)-2-keto-ethyl] ester Formula: C19H18ClN3O5 MolecularWeight: 403.81632

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H18ClN3O5/c20-13-3-5-14(6-4-13)21-18(24)12-28-19(25)16-11-15(23(26)27)7-8-17(16)22-9-1-2-10-22/h3-8,11H,1-2,9-10,12H2,(H,21,24)