3-azanyl-4-(3,4-dimethoxyphenyl)-7-nitro-2-phenyl-isoquinolin-1-one

Systemtic Name: 3-azanyl-4-(3,4-dimethoxyphenyl)-7-nitro-2-phenyl-isoquinolin-1-one Openeye Name: 3-amino-4-(3,4-dimethoxyphenyl)-7-nitro-2-phenyl-isoquinolin-1-one CAS Name: 3-amino-4-(3,4-dimethoxyphenyl)-7-nitro-2-phenyl-1-isoquinolinone IUPAC Name: 3-amino-4-(3,4-dimethoxyphenyl)-7-nitro-2-phenylisoquinolin-1-one Traditional Name: 3-amino-4-(3,4-dimethoxyphenyl)-7-nitro-2-phenyl-isocarbostyril Formula: C23H19N3O5 MolecularWeight: 417.41406

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C(N(C(=O)C3=C2C=CC(=C3)[N+](=O)[O-])C4=CC=CC=C4)N)OC

InChI

InChI=1S/C23H19N3O5/c1-30-19-11-8-14(12-20(19)31-2)21-17-10-9-16(26(28)29)13-18(17)23(27)25(22(21)24)15-6-4-3-5-7-15/h3-13H,24H2,1-2H3