[2-[4-(2-methylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxidanylidene-ethyl] 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxo-ethyl] 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid [2-[4-[(2-methyl-1-oxopropyl)amino]phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(2-methylpropanoylamino)phenyl]-2-oxoethyl] 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid [2-[4-(isobutyrylamino)phenyl]-2-keto-ethyl] ester Formula: C24H27N3O6 MolecularWeight: 453.48768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C)C(=O)NC1=CC=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C24H27N3O6/c1-16(2)23(29)25-19-9-6-17(7-10-19)22(28)15-33-24(30)18-8-11-20(21(14-18)27(31)32)26-12-4-3-5-13-26/h6-11,14,16H,3-5,12-13,15H2,1-2H3,(H,25,29)