O1-tert-butyl O5-[[5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]carbonylamino] pentanedioate

Systemtic Name: O1-tert-butyl O5-[[5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]carbonylamino] pentanedioate Openeye Name: O1-tert-butyl O5-[[5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonyl]amino] pentanedioate CAS Name: pentanedioic acid O1-tert-butyl ester O5-[[[5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridin-3-yl]-oxomethyl]amino] ester IUPAC Name: 1-O-tert-butyl 5-O-[[5-methoxycarbonyl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonyl]amino] pentanedioate Traditional Name: glutaric acid O1-tert-butyl ester O5-[[5-carbomethoxy-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carbonyl]amino] ester Formula: C25H31N3O9 MolecularWeight: 517.52834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NOC(=O)CCCC(=O)OC(C)(C)C

Isomeric SMILES

CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)NOC(=O)CCCC(=O)OC(C)(C)C

InChI

InChI=1S/C25H31N3O9/c1-14-20(23(31)27-37-19(30)12-8-11-18(29)36-25(3,4)5)22(21(15(2)26-14)24(32)35-6)16-9-7-10-17(13-16)28(33)34/h7,9-10,13,22,26H,8,11-12H2,1-6H3,(H,27,31)