methyl 4-(4-ethanoylpiperazin-1-yl)-3-[(2-methyl-3-nitro-phenyl)carbonylamino]benzoate

Systemtic Name: methyl 4-(4-ethanoylpiperazin-1-yl)-3-[(2-methyl-3-nitro-phenyl)carbonylamino]benzoate Openeye Name: methyl 4-(4-acetylpiperazin-1-yl)-3-[(2-methyl-3-nitro-benzoyl)amino]benzoate CAS Name: 4-(4-acetyl-1-piperazinyl)-3-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-acetylpiperazin-1-yl)-3-[(2-methyl-3-nitrobenzoyl)amino]benzoate Traditional Name: 4-(4-acetylpiperazino)-3-[(2-methyl-3-nitro-benzoyl)amino]benzoic acid methyl ester Formula: C22H24N4O6 MolecularWeight: 440.44916

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C(=O)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C(=O)C

InChI

InChI=1S/C22H24N4O6/c1-14-17(5-4-6-19(14)26(30)31)21(28)23-18-13-16(22(29)32-3)7-8-20(18)25-11-9-24(10-12-25)15(2)27/h4-8,13H,9-12H2,1-3H3,(H,23,28)