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

Systemtic Name: [2-[(4-ethoxy-4-oxidanylidene-butyl)amino]-2-oxidanylidene-ethyl] 2-(4-methylpiperidin-1-yl)-5-nitro-benzoate Openeye Name: [2-[(4-ethoxy-4-oxo-butyl)amino]-2-oxo-ethyl] 2-(4-methyl-1-piperidyl)-5-nitro-benzoate CAS Name: 2-(4-methyl-1-piperidinyl)-5-nitrobenzoic acid [2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(4-ethoxy-4-oxobutyl)amino]-2-oxoethyl] 2-(4-methylpiperidin-1-yl)-5-nitrobenzoate Traditional Name: 2-(4-methylpiperidino)-5-nitro-benzoic acid [2-[(4-ethoxy-4-keto-butyl)amino]-2-keto-ethyl] ester Formula: C21H29N3O7 MolecularWeight: 435.47086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCNC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCC(CC2)C

Isomeric SMILES

CCOC(=O)CCCNC(=O)COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])N2CCC(CC2)C

InChI

InChI=1S/C21H29N3O7/c1-3-30-20(26)5-4-10-22-19(25)14-31-21(27)17-13-16(24(28)29)6-7-18(17)23-11-8-15(2)9-12-23/h6-7,13,15H,3-5,8-12,14H2,1-2H3,(H,22,25)