methyl 3-methyl-1-(4-nitrophenyl)-5,6,7,8-tetrahydroisoquinoline-4-carboxylate

Systemtic Name: methyl 3-methyl-1-(4-nitrophenyl)-5,6,7,8-tetrahydroisoquinoline-4-carboxylate Openeye Name: methyl 3-methyl-1-(4-nitrophenyl)-5,6,7,8-tetrahydroisoquinoline-4-carboxylate CAS Name: 3-methyl-1-(4-nitrophenyl)-5,6,7,8-tetrahydroisoquinoline-4-carboxylic acid methyl ester IUPAC Name: methyl 3-methyl-1-(4-nitrophenyl)-5,6,7,8-tetrahydroisoquinoline-4-carboxylate Traditional Name: 3-methyl-1-(4-nitrophenyl)-5,6,7,8-tetrahydroisoquinoline-4-carboxylic acid methyl ester Formula: C18H18N2O4 MolecularWeight: 326.34652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=C2CCCCC2=C1C(=O)OC)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=C2CCCCC2=C1C(=O)OC)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N2O4/c1-11-16(18(21)24-2)14-5-3-4-6-15(14)17(19-11)12-7-9-13(10-8-12)20(22)23/h7-10H,3-6H2,1-2H3