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

Systemtic Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[(4-morpholin-4-yl-3-nitro-phenyl)carbonylamino]benzoate Openeye Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[(4-morpholino-3-nitro-benzoyl)amino]benzoate CAS Name: 4-(4-ethyl-1-piperazinyl)-3-[[[4-(4-morpholinyl)-3-nitrophenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[(4-morpholin-4-yl-3-nitrobenzoyl)amino]benzoate Traditional Name: 4-(4-ethylpiperazino)-3-[(4-morpholino-3-nitro-benzoyl)amino]benzoic acid methyl ester Formula: C25H31N5O6 MolecularWeight: 497.54354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C25H31N5O6/c1-3-27-8-10-28(11-9-27)21-6-5-19(25(32)35-2)16-20(21)26-24(31)18-4-7-22(23(17-18)30(33)34)29-12-14-36-15-13-29/h4-7,16-17H,3,8-15H2,1-2H3,(H,26,31)