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

Systemtic Name: methyl 4-(4-ethanoylpiperazin-1-yl)-3-[(3-nitrophenyl)carbonylamino]benzoate Openeye Name: methyl 4-(4-acetylpiperazin-1-yl)-3-[(3-nitrobenzoyl)amino]benzoate CAS Name: 4-(4-acetyl-1-piperazinyl)-3-[[(3-nitrophenyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-acetylpiperazin-1-yl)-3-[(3-nitrobenzoyl)amino]benzoate Traditional Name: 4-(4-acetylpiperazino)-3-[(3-nitrobenzoyl)amino]benzoic acid methyl ester Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O6/c1-14(26)23-8-10-24(11-9-23)19-7-6-16(21(28)31-2)13-18(19)22-20(27)15-4-3-5-17(12-15)25(29)30/h3-7,12-13H,8-11H2,1-2H3,(H,22,27)