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

Systemtic Name: methyl 4-(4-methylpiperazin-1-yl)-3-[(4-nitrophenyl)carbonylamino]benzoate Openeye Name: methyl 4-(4-methylpiperazin-1-yl)-3-[(4-nitrobenzoyl)amino]benzoate CAS Name: 4-(4-methyl-1-piperazinyl)-3-[[(4-nitrophenyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-methylpiperazin-1-yl)-3-[(4-nitrobenzoyl)amino]benzoate Traditional Name: 4-(4-methylpiperazino)-3-[(4-nitrobenzoyl)amino]benzoic acid methyl ester Formula: C20H22N4O5 MolecularWeight: 398.41248

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H22N4O5/c1-22-9-11-23(12-10-22)18-8-5-15(20(26)29-2)13-17(18)21-19(25)14-3-6-16(7-4-14)24(27)28/h3-8,13H,9-12H2,1-2H3,(H,21,25)