ethyl 3-[(2-chloranyl-5-nitro-phenyl)carbonylamino]-4-(4-ethanoylpiperazin-1-yl)benzoate

Systemtic Name: ethyl 3-[(2-chloranyl-5-nitro-phenyl)carbonylamino]-4-(4-ethanoylpiperazin-1-yl)benzoate Openeye Name: ethyl 4-(4-acetylpiperazin-1-yl)-3-[(2-chloro-5-nitro-benzoyl)amino]benzoate CAS Name: 4-(4-acetyl-1-piperazinyl)-3-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-acetylpiperazin-1-yl)-3-[(2-chloro-5-nitrobenzoyl)amino]benzoate Traditional Name: 4-(4-acetylpiperazino)-3-[(2-chloro-5-nitro-benzoyl)amino]benzoic acid ethyl ester Formula: C22H23ClN4O6 MolecularWeight: 474.89422

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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=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

InChI=1S/C22H23ClN4O6/c1-3-33-22(30)15-4-7-20(26-10-8-25(9-11-26)14(2)28)19(12-15)24-21(29)17-13-16(27(31)32)5-6-18(17)23/h4-7,12-13H,3,8-11H2,1-2H3,(H,24,29)