2-methylpropyl 5-(butoxycarbamoyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 2-methylpropyl 5-(butoxycarbamoyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: isobutyl 5-(butoxycarbamoyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-[(butoxyamino)-oxomethyl]-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 5-(butoxycarbamoyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-(butoxycarbamoyl)-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid isobutyl ester Formula: C23H31N3O6 MolecularWeight: 445.50874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCONC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC(C)C)C)C

Isomeric SMILES

CCCCONC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OCC(C)C)C)C

InChI

InChI=1S/C23H31N3O6/c1-6-7-11-32-25-22(27)19-15(4)24-16(5)20(23(28)31-13-14(2)3)21(19)17-9-8-10-18(12-17)26(29)30/h8-10,12,14,21,24H,6-7,11,13H2,1-5H3,(H,25,27)