methyl 4-(4-ethylpiperazin-1-yl)-3-[(2-nitrophenyl)carbonylamino]benzoate

Systemtic Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[(2-nitrophenyl)carbonylamino]benzoate Openeye Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[(2-nitrobenzoyl)amino]benzoate CAS Name: 4-(4-ethyl-1-piperazinyl)-3-[[(2-nitrophenyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[(2-nitrobenzoyl)amino]benzoate Traditional Name: 4-(4-ethylpiperazino)-3-[(2-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/c1-3-23-10-12-24(13-11-23)19-9-8-15(21(27)30-2)14-17(19)22-20(26)16-6-4-5-7-18(16)25(28)29/h4-9,14H,3,10-13H2,1-2H3,(H,22,26)