4-[8-nitro-7-oxidanyl-2-(phenylmethyl)-3,4-dihydro-1H-isoquinolin-4-yl]benzene-1,2-diol

Systemtic Name: 4-[8-nitro-7-oxidanyl-2-(phenylmethyl)-3,4-dihydro-1H-isoquinolin-4-yl]benzene-1,2-diol Openeye Name: 4-(2-benzyl-7-hydroxy-8-nitro-3,4-dihydro-1H-isoquinolin-4-yl)benzene-1,2-diol CAS Name: 4-[7-hydroxy-8-nitro-2-(phenylmethyl)-3,4-dihydro-1H-isoquinolin-4-yl]benzene-1,2-diol IUPAC Name: 4-(2-benzyl-7-hydroxy-8-nitro-3,4-dihydro-1H-isoquinolin-4-yl)benzene-1,2-diol Traditional Name: 4-(2-benzyl-7-hydroxy-8-nitro-3,4-dihydro-1H-isoquinolin-4-yl)pyrocatechol Formula: C22H20N2O5 MolecularWeight: 392.4046

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=C(CN1CC3=CC=CC=C3)C(=C(C=C2)O)[N+](=O)[O-])C4=CC(=C(C=C4)O)O

Isomeric SMILES

C1C(C2=C(CN1CC3=CC=CC=C3)C(=C(C=C2)O)[N+](=O)[O-])C4=CC(=C(C=C4)O)O

InChI

InChI=1S/C22H20N2O5/c25-19-8-6-15(10-21(19)27)17-12-23(11-14-4-2-1-3-5-14)13-18-16(17)7-9-20(26)22(18)24(28)29/h1-10,17,25-27H,11-13H2