[1-(3,4-dimethoxyphenyl)-7-nitro-3,4-dihydro-1H-isoquinolin-2-yl]-phenyl-methanone

Systemtic Name: [1-(3,4-dimethoxyphenyl)-7-nitro-3,4-dihydro-1H-isoquinolin-2-yl]-phenyl-methanone Openeye Name: [1-(3,4-dimethoxyphenyl)-7-nitro-3,4-dihydro-1H-isoquinolin-2-yl]-phenyl-methanone CAS Name: [1-(3,4-dimethoxyphenyl)-7-nitro-3,4-dihydro-1H-isoquinolin-2-yl]-phenylmethanone IUPAC Name: [1-(3,4-dimethoxyphenyl)-7-nitro-3,4-dihydro-1H-isoquinolin-2-yl]-phenylmethanone Traditional Name: [1-(3,4-dimethoxyphenyl)-7-nitro-3,4-dihydro-1H-isoquinolin-2-yl]-phenyl-methanone Formula: C24H22N2O5 MolecularWeight: 418.44188

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2C3=C(CCN2C(=O)C4=CC=CC=C4)C=CC(=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2C3=C(CCN2C(=O)C4=CC=CC=C4)C=CC(=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C24H22N2O5/c1-30-21-11-9-18(14-22(21)31-2)23-20-15-19(26(28)29)10-8-16(20)12-13-25(23)24(27)17-6-4-3-5-7-17/h3-11,14-15,23H,12-13H2,1-2H3