(7-ethoxycarbonylimino-2-oxidanyl-5,6,8,8a-tetrahydrochromen-4-yl)methyl 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate

Systemtic Name: (7-ethoxycarbonylimino-2-oxidanyl-5,6,8,8a-tetrahydrochromen-4-yl)methyl 4-(4-methylpiperidin-1-yl)-3-nitro-benzoate Openeye Name: (7-ethoxycarbonylimino-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methyl 4-(4-methyl-1-piperidyl)-3-nitro-benzoate CAS Name: 4-(4-methyl-1-piperidinyl)-3-nitrobenzoic acid (7-ethoxycarbonylimino-2-hydroxy-5,6,8,8a-tetrahydro-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-ethoxycarbonylimino-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methyl 4-(4-methylpiperidin-1-yl)-3-nitrobenzoate Traditional Name: 4-(4-methylpiperidino)-3-nitro-benzoic acid (7-carbethoxyimino-2-hydroxy-5,6,8,8a-tetrahydrochromen-4-yl)methyl ester Formula: C26H31N3O8 MolecularWeight: 513.53964

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N=C1CCC2=C(C=C(OC2C1)O)COC(=O)C3=CC(=C(C=C3)N4CCC(CC4)C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N=C1CCC2=C(C=C(OC2C1)O)COC(=O)C3=CC(=C(C=C3)N4CCC(CC4)C)[N+](=O)[O-]

InChI

InChI=1S/C26H31N3O8/c1-3-35-26(32)27-19-5-6-20-18(13-24(30)37-23(20)14-19)15-36-25(31)17-4-7-21(22(12-17)29(33)34)28-10-8-16(2)9-11-28/h4,7,12-13,16,23,30H,3,5-6,8-11,14-15H2,1-2H3