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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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