2-dimethylaminoethyl 5-dimethoxyphosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate

Systemtic Name: 2-dimethylaminoethyl 5-dimethoxyphosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: 2-dimethylaminoethyl 5-dimethoxyphosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate CAS Name: 5-dimethoxyphosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 5-dimethoxyphosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-dimethoxyphosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylic acid 2-dimethylaminoethyl ester Formula: C20H28N3O7P MolecularWeight: 453.425981

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H28N3O7P/c1-13-17(20(24)30-11-10-22(3)4)18(15-8-7-9-16(12-15)23(25)26)19(14(2)21-13)31(27,28-5)29-6/h7-9,12,18,21H,10-11H2,1-6H3