O6-azanyl O1-methyl 2,4-dimethyl-2-[6-methyl-4-(3-nitrophenyl)pyridin-3-yl]carbonyl-hexanedioate

Systemtic Name: O6-azanyl O1-methyl 2,4-dimethyl-2-[6-methyl-4-(3-nitrophenyl)pyridin-3-yl]carbonyl-hexanedioate Openeye Name: O6-amino O1-methyl 2,4-dimethyl-2-[6-methyl-4-(3-nitrophenyl)pyridine-3-carbonyl]hexanedioate CAS Name: 2,4-dimethyl-2-[[6-methyl-4-(3-nitrophenyl)-3-pyridinyl]-oxomethyl]hexanedioic acid O6-amino ester O1-methyl ester IUPAC Name: 6-O-amino 1-O-methyl 2,4-dimethyl-2-[6-methyl-4-(3-nitrophenyl)pyridine-3-carbonyl]hexanedioate Traditional Name: 2,4-dimethyl-2-[6-methyl-4-(3-nitrophenyl)nicotinoyl]adipic acid O6-amino ester O1-methyl ester Formula: C22H25N3O7 MolecularWeight: 443.4498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C(C)(CC(C)CC(=O)ON)C(=O)OC

Isomeric SMILES

CC1=NC=C(C(=C1)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)C(C)(CC(C)CC(=O)ON)C(=O)OC

InChI

InChI=1S/C22H25N3O7/c1-13(8-19(26)32-23)11-22(3,21(28)31-4)20(27)18-12-24-14(2)9-17(18)15-6-5-7-16(10-15)25(29)30/h5-7,9-10,12-13H,8,11,23H2,1-4H3