methyl 4-[[5-nitro-2-[(phenylmethyl)amino]phenyl]carbonylamino]benzoate

Systemtic Name: methyl 4-[[5-nitro-2-[(phenylmethyl)amino]phenyl]carbonylamino]benzoate Openeye Name: methyl 4-[[2-(benzylamino)-5-nitro-benzoyl]amino]benzoate CAS Name: 4-[[[5-nitro-2-[(phenylmethyl)amino]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[2-(benzylamino)-5-nitrobenzoyl]amino]benzoate Traditional Name: 4-[[2-(benzylamino)-5-nitro-benzoyl]amino]benzoic acid methyl ester Formula: C22H19N3O5 MolecularWeight: 405.40336

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC=CC=C3

InChI

InChI=1S/C22H19N3O5/c1-30-22(27)16-7-9-17(10-8-16)24-21(26)19-13-18(25(28)29)11-12-20(19)23-14-15-5-3-2-4-6-15/h2-13,23H,14H2,1H3,(H,24,26)