methyl 5-dipropoxyphosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl 5-dipropoxyphosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 5-dipropoxyphosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-dipropoxyphosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-dipropoxyphosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-dipropoxyphosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C21H29N2O7P MolecularWeight: 452.437921

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Descriptors Computed from Structure

Canonical SMILES:

CCCOP(=O)(C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)C)OCCC

Isomeric SMILES

CCCOP(=O)(C1=C(NC(=C(C1C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC)C)C)OCCC

InChI

InChI=1S/C21H29N2O7P/c1-6-11-29-31(27,30-12-7-2)20-15(4)22-14(3)18(21(24)28-5)19(20)16-9-8-10-17(13-16)23(25)26/h8-10,13,19,22H,6-7,11-12H2,1-5H3