(4-pyrrolidin-1-ylcarbonylphenyl)methyl 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: (4-pyrrolidin-1-ylcarbonylphenyl)methyl 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(4-chloro-3-nitro-benzoyl)benzoate CAS Name: 2-[(4-chloro-3-nitrophenyl)-oxomethyl]benzoic acid [4-[oxo(1-pyrrolidinyl)methyl]phenyl]methyl ester IUPAC Name: [4-(pyrrolidine-1-carbonyl)phenyl]methyl 2-(4-chloro-3-nitrobenzoyl)benzoate Traditional Name: 2-(4-chloro-3-nitro-benzoyl)benzoic acid [4-(pyrrolidine-1-carbonyl)benzyl] ester Formula: C26H21ClN2O6 MolecularWeight: 492.90774

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)C3=CC=CC=C3C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC=C(C=C2)COC(=O)C3=CC=CC=C3C(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C26H21ClN2O6/c27-22-12-11-19(15-23(22)29(33)34)24(30)20-5-1-2-6-21(20)26(32)35-16-17-7-9-18(10-8-17)25(31)28-13-3-4-14-28/h1-2,5-12,15H,3-4,13-14,16H2