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

Systemtic Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[(4-methyl-3-nitro-phenyl)carbonylamino]benzoate Openeye Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[(4-methyl-3-nitro-benzoyl)amino]benzoate CAS Name: 4-(4-ethyl-1-piperazinyl)-3-[[(4-methyl-3-nitrophenyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[(4-methyl-3-nitrobenzoyl)amino]benzoate Traditional Name: 4-(4-ethylpiperazino)-3-[(4-methyl-3-nitro-benzoyl)amino]benzoic acid methyl ester Formula: C22H26N4O5 MolecularWeight: 426.46564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O5/c1-4-24-9-11-25(12-10-24)19-8-7-17(22(28)31-3)13-18(19)23-21(27)16-6-5-15(2)20(14-16)26(29)30/h5-8,13-14H,4,9-12H2,1-3H3,(H,23,27)