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

Systemtic Name: 3-azanyl-2-(2-methoxyphenyl)-7-nitro-4-phenyl-isoquinolin-1-one Openeye Name: 3-amino-2-(2-methoxyphenyl)-7-nitro-4-phenyl-isoquinolin-1-one CAS Name: 3-amino-2-(2-methoxyphenyl)-7-nitro-4-phenyl-1-isoquinolinone IUPAC Name: 3-amino-2-(2-methoxyphenyl)-7-nitro-4-phenylisoquinolin-1-one Traditional Name: 3-amino-2-(2-methoxyphenyl)-7-nitro-4-phenyl-isocarbostyril Formula: C22H17N3O4 MolecularWeight: 387.38808

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)N

Isomeric SMILES

COC1=CC=CC=C1N2C(=C(C3=C(C2=O)C=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)N

InChI

InChI=1S/C22H17N3O4/c1-29-19-10-6-5-9-18(19)24-21(23)20(14-7-3-2-4-8-14)16-12-11-15(25(27)28)13-17(16)22(24)26/h2-13H,23H2,1H3