ethyl 6,7-dimethoxy-1-[(3-nitrophenyl)methyl]-3,4-dihydroisoquinoline-4-carboxylate

Systemtic Name: ethyl 6,7-dimethoxy-1-[(3-nitrophenyl)methyl]-3,4-dihydroisoquinoline-4-carboxylate Openeye Name: ethyl 6,7-dimethoxy-1-[(3-nitrophenyl)methyl]-3,4-dihydroisoquinoline-4-carboxylate CAS Name: 6,7-dimethoxy-1-[(3-nitrophenyl)methyl]-3,4-dihydroisoquinoline-4-carboxylic acid ethyl ester IUPAC Name: ethyl 6,7-dimethoxy-1-[(3-nitrophenyl)methyl]-3,4-dihydroisoquinoline-4-carboxylate Traditional Name: 6,7-dimethoxy-1-(3-nitrobenzyl)-3,4-dihydroisoquinoline-4-carboxylic acid ethyl ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CN=C(C2=CC(=C(C=C12)OC)OC)CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CN=C(C2=CC(=C(C=C12)OC)OC)CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O6/c1-4-29-21(24)17-12-22-18(9-13-6-5-7-14(8-13)23(25)26)16-11-20(28-3)19(27-2)10-15(16)17/h5-8,10-11,17H,4,9,12H2,1-3H3