propyl 4-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylamino]benzoate

Systemtic Name: propyl 4-[[4-(4-methylpiperidin-1-yl)-3-nitro-phenyl]carbonylamino]benzoate Openeye Name: propyl 4-[[4-(4-methyl-1-piperidyl)-3-nitro-benzoyl]amino]benzoate CAS Name: 4-[[[4-(4-methyl-1-piperidinyl)-3-nitrophenyl]-oxomethyl]amino]benzoic acid propyl ester IUPAC Name: propyl 4-[[4-(4-methylpiperidin-1-yl)-3-nitrobenzoyl]amino]benzoate Traditional Name: 4-[[4-(4-methylpiperidino)-3-nitro-benzoyl]amino]benzoic acid propyl ester Formula: C23H27N3O5 MolecularWeight: 425.47758

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCC(CC3)C)[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3CCC(CC3)C)[N+](=O)[O-]

InChI

InChI=1S/C23H27N3O5/c1-3-14-31-23(28)17-4-7-19(8-5-17)24-22(27)18-6-9-20(21(15-18)26(29)30)25-12-10-16(2)11-13-25/h4-9,15-16H,3,10-14H2,1-2H3,(H,24,27)