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

Systemtic Name: 2-propoxyethyl 5-dimethoxyphosphoryl-2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3-carboxylate Openeye Name: 2-propoxyethyl 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-propoxyethyl ester IUPAC Name: 2-propoxyethyl 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-propoxyethyl ester Formula: C21H29N2O8P MolecularWeight: 468.437321

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29N2O8P/c1-6-10-30-11-12-31-21(24)18-14(2)22-15(3)20(32(27,28-4)29-5)19(18)16-8-7-9-17(13-16)23(25)26/h7-9,13,19,22H,6,10-12H2,1-5H3