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

Systemtic Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[(3-nitrophenyl)carbonylamino]benzoate Openeye Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[(3-nitrobenzoyl)amino]benzoate CAS Name: 4-(4-ethyl-1-piperazinyl)-3-[[(3-nitrophenyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[(3-nitrobenzoyl)amino]benzoate Traditional Name: 4-(4-ethylpiperazino)-3-[(3-nitrobenzoyl)amino]benzoic acid methyl ester Formula: C21H24N4O5 MolecularWeight: 412.43906

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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(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H24N4O5/c1-3-23-9-11-24(12-10-23)19-8-7-16(21(27)30-2)14-18(19)22-20(26)15-5-4-6-17(13-15)25(28)29/h4-8,13-14H,3,9-12H2,1-2H3,(H,22,26)