[2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(3-phenylpropylamino)ethyl] 2-(4-chloranyl-3-nitro-phenyl)carbonylbenzoate Openeye Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(4-chloro-3-nitro-benzoyl)benzoate CAS Name: 2-[(4-chloro-3-nitrophenyl)-oxomethyl]benzoic acid [2-oxo-2-(3-phenylpropylamino)ethyl] ester IUPAC Name: [2-oxo-2-(3-phenylpropylamino)ethyl] 2-(4-chloro-3-nitrobenzoyl)benzoate Traditional Name: 2-(4-chloro-3-nitro-benzoyl)benzoic acid [2-keto-2-(3-phenylpropylamino)ethyl] ester Formula: C25H21ClN2O6 MolecularWeight: 480.89704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCNC(=O)COC(=O)C2=CC=CC=C2C(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C25H21ClN2O6/c26-21-13-12-18(15-22(21)28(32)33)24(30)19-10-4-5-11-20(19)25(31)34-16-23(29)27-14-6-9-17-7-2-1-3-8-17/h1-5,7-8,10-13,15H,6,9,14,16H2,(H,27,29)