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

Systemtic Name: ethyl 4-(4-ethanoylpiperazin-1-yl)-3-[(3-methyl-4-nitro-phenyl)carbonylamino]benzoate Openeye Name: ethyl 4-(4-acetylpiperazin-1-yl)-3-[(3-methyl-4-nitro-benzoyl)amino]benzoate CAS Name: 4-(4-acetyl-1-piperazinyl)-3-[[(3-methyl-4-nitrophenyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-acetylpiperazin-1-yl)-3-[(3-methyl-4-nitrobenzoyl)amino]benzoate Traditional Name: 4-(4-acetylpiperazino)-3-[(3-methyl-4-nitro-benzoyl)amino]benzoic acid ethyl ester Formula: C23H26N4O6 MolecularWeight: 454.47574

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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-])C

Isomeric SMILES

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

InChI

InChI=1S/C23H26N4O6/c1-4-33-23(30)18-6-8-21(26-11-9-25(10-12-26)16(3)28)19(14-18)24-22(29)17-5-7-20(27(31)32)15(2)13-17/h5-8,13-14H,4,9-12H2,1-3H3,(H,24,29)