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

Systemtic Name: ethyl 4-(4-ethylpiperazin-1-yl)-3-[(3-methyl-4-nitro-phenyl)carbonylamino]benzoate Openeye Name: ethyl 4-(4-ethylpiperazin-1-yl)-3-[(3-methyl-4-nitro-benzoyl)amino]benzoate CAS Name: 4-(4-ethyl-1-piperazinyl)-3-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-ethylpiperazin-1-yl)-3-[(3-methyl-4-nitrobenzoyl)amino]benzoate Traditional Name: 4-(4-ethylpiperazino)-3-[(3-methyl-4-nitro-benzoyl)amino]benzoic acid ethyl ester Formula: C23H28N4O5 MolecularWeight: 440.49222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4O5/c1-4-25-10-12-26(13-11-25)21-9-7-18(23(29)32-5-2)15-19(21)24-22(28)17-6-8-20(27(30)31)16(3)14-17/h6-9,14-15H,4-5,10-13H2,1-3H3,(H,24,28)