methyl (4S)-4-[2-di(propan-2-yloxy)phosphoryloxyphenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl (4S)-4-[2-di(propan-2-yloxy)phosphoryloxyphenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl (4S)-4-(2-diisopropoxyphosphoryloxyphenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate CAS Name: (4S)-4-[2-di(propan-2-yloxy)phosphoryloxyphenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl (4S)-4-[2-di(propan-2-yloxy)phosphoryloxyphenyl]-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylate Traditional Name: (4S)-4-(2-diisopropoxyphosphoryloxyphenyl)-2,6-dimethyl-5-nitro-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C21H29N2O8P MolecularWeight: 468.437321

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2OP(=O)(OC(C)C)OC(C)C)C(=O)OC

Isomeric SMILES

CC1=C([C@@H](C(=C(N1)C)[N+](=O)[O-])C2=CC=CC=C2OP(=O)(OC(C)C)OC(C)C)C(=O)OC

InChI

InChI=1S/C21H29N2O8P/c1-12(2)29-32(27,30-13(3)4)31-17-11-9-8-10-16(17)19-18(21(24)28-7)14(5)22-15(6)20(19)23(25)26/h8-13,19,22H,1-7H3/t19-/m0/s1