2-(3,4-dimethylphenyl)-N-(2-methoxy-5-nitro-phenyl)-1-oxidanylidene-isoquinoline-4-carboxamide

Systemtic Name: 2-(3,4-dimethylphenyl)-N-(2-methoxy-5-nitro-phenyl)-1-oxidanylidene-isoquinoline-4-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)-N-(2-methoxy-5-nitro-phenyl)-1-oxo-isoquinoline-4-carboxamide CAS Name: 2-(3,4-dimethylphenyl)-N-(2-methoxy-5-nitrophenyl)-1-oxo-4-isoquinolinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)-N-(2-methoxy-5-nitrophenyl)-1-oxoisoquinoline-4-carboxamide Traditional Name: 2-(3,4-dimethylphenyl)-1-keto-N-(2-methoxy-5-nitro-phenyl)isoquinoline-4-carboxamide Formula: C25H21N3O5 MolecularWeight: 443.45134

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])OC)C

Isomeric SMILES

CC1=C(C=C(C=C1)N2C=C(C3=CC=CC=C3C2=O)C(=O)NC4=C(C=CC(=C4)[N+](=O)[O-])OC)C

InChI

InChI=1S/C25H21N3O5/c1-15-8-9-17(12-16(15)2)27-14-21(19-6-4-5-7-20(19)25(27)30)24(29)26-22-13-18(28(31)32)10-11-23(22)33-3/h4-14H,1-3H3,(H,26,29)