ethyl 4-(4-ethanoylpiperazin-1-yl)-3-[(4-nitrophenyl)carbonylamino]benzoate

Systemtic Name: ethyl 4-(4-ethanoylpiperazin-1-yl)-3-[(4-nitrophenyl)carbonylamino]benzoate Openeye Name: ethyl 4-(4-acetylpiperazin-1-yl)-3-[(4-nitrobenzoyl)amino]benzoate CAS Name: 4-(4-acetyl-1-piperazinyl)-3-[[(4-nitrophenyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-acetylpiperazin-1-yl)-3-[(4-nitrobenzoyl)amino]benzoate Traditional Name: 4-(4-acetylpiperazino)-3-[(4-nitrobenzoyl)amino]benzoic acid ethyl ester Formula: C22H24N4O6 MolecularWeight: 440.44916

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O6/c1-3-32-22(29)17-6-9-20(25-12-10-24(11-13-25)15(2)27)19(14-17)23-21(28)16-4-7-18(8-5-16)26(30)31/h4-9,14H,3,10-13H2,1-2H3,(H,23,28)