ethyl 4-(2-methyl-8-nitro-3,4-dihydro-1H-isoquinolin-5-yl)benzoate

Systemtic Name: ethyl 4-(2-methyl-8-nitro-3,4-dihydro-1H-isoquinolin-5-yl)benzoate Openeye Name: ethyl 4-(2-methyl-8-nitro-3,4-dihydro-1H-isoquinolin-5-yl)benzoate CAS Name: 4-(2-methyl-8-nitro-3,4-dihydro-1H-isoquinolin-5-yl)benzoic acid ethyl ester IUPAC Name: ethyl 4-(2-methyl-8-nitro-3,4-dihydro-1H-isoquinolin-5-yl)benzoate Traditional Name: 4-(2-methyl-8-nitro-3,4-dihydro-1H-isoquinolin-5-yl)benzoic acid ethyl ester Formula: C19H20N2O4 MolecularWeight: 340.3731

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C2=C3CCN(CC3=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=C3CCN(CC3=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C19H20N2O4/c1-3-25-19(22)14-6-4-13(5-7-14)15-8-9-18(21(23)24)17-12-20(2)11-10-16(15)17/h4-9H,3,10-12H2,1-2H3