(2-chlorophenyl)methyl 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate

Systemtic Name: (2-chlorophenyl)methyl 2-[4-(methylamino)-3-nitro-phenyl]carbonylbenzoate Openeye Name: (2-chlorophenyl)methyl 2-[4-(methylamino)-3-nitro-benzoyl]benzoate CAS Name: 2-[[4-(methylamino)-3-nitrophenyl]-oxomethyl]benzoic acid (2-chlorophenyl)methyl ester IUPAC Name: (2-chlorophenyl)methyl 2-[4-(methylamino)-3-nitrobenzoyl]benzoate Traditional Name: 2-[4-(methylamino)-3-nitro-benzoyl]benzoic acid (2-chlorobenzyl) ester Formula: C22H17ClN2O5 MolecularWeight: 424.83378

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)OCC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H17ClN2O5/c1-24-19-11-10-14(12-20(19)25(28)29)21(26)16-7-3-4-8-17(16)22(27)30-13-15-6-2-5-9-18(15)23/h2-12,24H,13H2,1H3