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

Systemtic Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[(2-methyl-3-nitro-phenyl)carbonylamino]benzoate Openeye Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[(2-methyl-3-nitro-benzoyl)amino]benzoate CAS Name: 4-(4-ethyl-1-piperazinyl)-3-[[(2-methyl-3-nitrophenyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-ethylpiperazin-1-yl)-3-[(2-methyl-3-nitrobenzoyl)amino]benzoate Traditional Name: 4-(4-ethylpiperazino)-3-[(2-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=C(C(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

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

InChI

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