[2-[(4-ethoxy-4-oxidanylidene-butyl)amino]-2-oxidanylidene-ethyl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: [2-[(4-ethoxy-4-oxidanylidene-butyl)amino]-2-oxidanylidene-ethyl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: [2-[(4-ethoxy-4-oxo-butyl)amino]-2-oxo-ethyl] 4-(3,5-dimethyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(3,5-dimethyl-1-piperidinyl)-3-nitrobenzoic acid [2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 4-(3,5-dimethylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(3,5-dimethylpiperidino)-3-nitro-benzoic acid [2-[(4-ethoxy-4-keto-butyl)amino]-2-keto-ethyl] ester Formula: C22H31N3O7 MolecularWeight: 449.49744

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)COC(=O)C1=CC(=C(C=C1)N2CC(CC(C2)C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)CCCNC(=O)COC(=O)C1=CC(=C(C=C1)N2CC(CC(C2)C)C)[N+](=O)[O-]

InChI

InChI=1S/C22H31N3O7/c1-4-31-21(27)6-5-9-23-20(26)14-32-22(28)17-7-8-18(19(11-17)25(29)30)24-12-15(2)10-16(3)13-24/h7-8,11,15-16H,4-6,9-10,12-14H2,1-3H3,(H,23,26)