methyl (3R)-2-[ethoxy-(4-methoxyphenyl)phosphoryl]-7-nitro-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: methyl (3R)-2-[ethoxy-(4-methoxyphenyl)phosphoryl]-7-nitro-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: methyl (3R)-2-[ethoxy-(4-methoxyphenyl)phosphoryl]-7-nitro-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: (3R)-2-[ethoxy-(4-methoxyphenyl)phosphoryl]-7-nitro-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester IUPAC Name: methyl (3R)-2-[ethoxy-(4-methoxyphenyl)phosphoryl]-7-nitro-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: (3R)-2-[ethoxy-(4-methoxyphenyl)phosphoryl]-7-nitro-3,4-dihydro-1H-isoquinoline-3-carboxylic acid methyl ester Formula: C20H23N2O7P MolecularWeight: 434.379581

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Descriptors Computed from Structure

Canonical SMILES:

CCOP(=O)(C1=CC=C(C=C1)OC)N2CC3=C(CC2C(=O)OC)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCOP(=O)(C1=CC=C(C=C1)OC)N2CC3=C(C[C@@H]2C(=O)OC)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N2O7P/c1-4-29-30(26,18-9-7-17(27-2)8-10-18)21-13-15-11-16(22(24)25)6-5-14(15)12-19(21)20(23)28-3/h5-11,19H,4,12-13H2,1-3H3/t19-,30?/m1/s1