methyl 4-methyl-3-[[5-nitro-2-[(phenylmethyl)amino]phenyl]carbonylamino]benzoate

Systemtic Name: methyl 4-methyl-3-[[5-nitro-2-[(phenylmethyl)amino]phenyl]carbonylamino]benzoate Openeye Name: methyl 3-[[2-(benzylamino)-5-nitro-benzoyl]amino]-4-methyl-benzoate CAS Name: 4-methyl-3-[[[5-nitro-2-[(phenylmethyl)amino]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 3-[[2-(benzylamino)-5-nitrobenzoyl]amino]-4-methylbenzoate Traditional Name: 3-[[2-(benzylamino)-5-nitro-benzoyl]amino]-4-methyl-benzoic acid methyl ester Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCC3=CC=CC=C3

InChI

InChI=1S/C23H21N3O5/c1-15-8-9-17(23(28)31-2)12-21(15)25-22(27)19-13-18(26(29)30)10-11-20(19)24-14-16-6-4-3-5-7-16/h3-13,24H,14H2,1-2H3,(H,25,27)