5,8-dimethyl-6-[(3-nitropyridin-4-yl)amino]-2H-isoquinolin-1-one

Systemtic Name: 5,8-dimethyl-6-[(3-nitropyridin-4-yl)amino]-2H-isoquinolin-1-one Openeye Name: 5,8-dimethyl-6-[(3-nitro-4-pyridyl)amino]-2H-isoquinolin-1-one CAS Name: 5,8-dimethyl-6-[(3-nitro-4-pyridinyl)amino]-2H-isoquinolin-1-one IUPAC Name: 5,8-dimethyl-6-[(3-nitropyridin-4-yl)amino]-2H-isoquinolin-1-one Traditional Name: 5,8-dimethyl-6-[(3-nitro-4-pyridyl)amino]isocarbostyril Formula: C16H14N4O3 MolecularWeight: 310.30736

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C2=C1C(=O)NC=C2)C)NC3=C(C=NC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C2=C1C(=O)NC=C2)C)NC3=C(C=NC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O3/c1-9-7-13(10(2)11-3-6-18-16(21)15(9)11)19-12-4-5-17-8-14(12)20(22)23/h3-8H,1-2H3,(H,17,19)(H,18,21)