nonyl 2,6-dimethyl-4-(2-nitrophenyl)-5-(propan-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: nonyl 2,6-dimethyl-4-(2-nitrophenyl)-5-(propan-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: nonyl 5-(isopropylcarbamoyl)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-4-(2-nitrophenyl)-5-[oxo-(propan-2-ylamino)methyl]-1,4-dihydropyridine-3-carboxylic acid nonyl ester IUPAC Name: nonyl 2,6-dimethyl-4-(2-nitrophenyl)-5-(propan-2-ylcarbamoyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-(isopropylcarbamoyl)-2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid nonyl ester Formula: C27H39N3O5 MolecularWeight: 485.61566

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H39N3O5/c1-6-7-8-9-10-11-14-17-35-27(32)24-20(5)29-19(4)23(26(31)28-18(2)3)25(24)21-15-12-13-16-22(21)30(33)34/h12-13,15-16,18,25,29H,6-11,14,17H2,1-5H3,(H,28,31)