methyl 5-bis(prop-2-enoxy)phosphoryl-2-cyano-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl 5-bis(prop-2-enoxy)phosphoryl-2-cyano-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 2-cyano-5-diallyloxyphosphoryl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-bis(prop-2-enoxy)phosphoryl-2-cyano-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 5-bis(prop-2-enoxy)phosphoryl-2-cyano-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 2-cyano-5-diallyloxyphosphoryl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C21H22N3O7P MolecularWeight: 459.389041

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C#N)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])P(=O)(OCC=C)OCC=C

Isomeric SMILES

CC1=C(C(C(=C(N1)C#N)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])P(=O)(OCC=C)OCC=C

InChI

InChI=1S/C21H22N3O7P/c1-5-10-30-32(28,31-11-6-2)20-14(3)23-17(13-22)19(21(25)29-4)18(20)15-8-7-9-16(12-15)24(26)27/h5-9,12,18,23H,1-2,10-11H2,3-4H3