3-[(4-nitrophenyl)amino]-4-pyridin-4-ylcarbonyl-2H-isoquinolin-1-one

Systemtic Name: 3-[(4-nitrophenyl)amino]-4-pyridin-4-ylcarbonyl-2H-isoquinolin-1-one Openeye Name: 3-(4-nitroanilino)-4-(pyridine-4-carbonyl)-2H-isoquinolin-1-one CAS Name: 3-(4-nitroanilino)-4-[oxo(pyridin-4-yl)methyl]-2H-isoquinolin-1-one IUPAC Name: 3-(4-nitroanilino)-4-(pyridine-4-carbonyl)-2H-isoquinolin-1-one Traditional Name: 4-isonicotinoyl-3-(4-nitroanilino)isocarbostyril Formula: C21H14N4O4 MolecularWeight: 386.36026

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(NC2=O)NC3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(NC2=O)NC3=CC=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=NC=C4

InChI

InChI=1S/C21H14N4O4/c26-19(13-9-11-22-12-10-13)18-16-3-1-2-4-17(16)21(27)24-20(18)23-14-5-7-15(8-6-14)25(28)29/h1-12H,(H2,23,24,27)