ethyl 3-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate

Systemtic Name: ethyl 3-[(4-chloranyl-3-nitro-phenyl)carbonylamino]-4-[4-(phenylmethyl)piperazin-1-yl]benzoate Openeye Name: ethyl 4-(4-benzylpiperazin-1-yl)-3-[(4-chloro-3-nitro-benzoyl)amino]benzoate CAS Name: 3-[[(4-chloro-3-nitrophenyl)-oxomethyl]amino]-4-[4-(phenylmethyl)-1-piperazinyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-(4-benzylpiperazin-1-yl)-3-[(4-chloro-3-nitrobenzoyl)amino]benzoate Traditional Name: 4-(4-benzylpiperazino)-3-[(4-chloro-3-nitro-benzoyl)amino]benzoic acid ethyl ester Formula: C27H27ClN4O5 MolecularWeight: 522.98008

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=CC=CC=C3)NC(=O)C4=CC(=C(C=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C27H27ClN4O5/c1-2-37-27(34)21-9-11-24(31-14-12-30(13-15-31)18-19-6-4-3-5-7-19)23(16-21)29-26(33)20-8-10-22(28)25(17-20)32(35)36/h3-11,16-17H,2,12-15,18H2,1H3,(H,29,33)