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

Systemtic Name: methyl 3-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-4-(4-ethanoylpiperazin-1-yl)benzoate Openeye Name: methyl 4-(4-acetylpiperazin-1-yl)-3-[(2-chloro-4-nitro-benzoyl)amino]benzoate CAS Name: 4-(4-acetyl-1-piperazinyl)-3-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-(4-acetylpiperazin-1-yl)-3-[(2-chloro-4-nitrobenzoyl)amino]benzoate Traditional Name: 4-(4-acetylpiperazino)-3-[(2-chloro-4-nitro-benzoyl)amino]benzoic acid methyl ester Formula: C21H21ClN4O6 MolecularWeight: 460.86764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)NC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H21ClN4O6/c1-13(27)24-7-9-25(10-8-24)19-6-3-14(21(29)32-2)11-18(19)23-20(28)16-5-4-15(26(30)31)12-17(16)22/h3-6,11-12H,7-10H2,1-2H3,(H,23,28)