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

Systemtic Name: methyl 4-(4-ethanoylpiperazin-1-yl)-3-[(4-methyl-3-nitro-phenyl)carbonylamino]benzoate Openeye Name: methyl 4-(4-acetylpiperazin-1-yl)-3-[(4-methyl-3-nitro-benzoyl)amino]benzoate CAS Name: 4-(4-acetyl-1-piperazinyl)-3-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-acetylpiperazin-1-yl)-3-[(4-methyl-3-nitrobenzoyl)amino]benzoate Traditional Name: 4-(4-acetylpiperazino)-3-[(4-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=C(C=C1)C(=O)NC2=C(C=CC(=C2)C(=O)OC)N3CCN(CC3)C(=O)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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