3-azanyl-7-nitro-4-(phenylcarbonyl)-2H-isoquinolin-1-one

Systemtic Name: 3-azanyl-7-nitro-4-(phenylcarbonyl)-2H-isoquinolin-1-one Openeye Name: 3-amino-4-benzoyl-7-nitro-2H-isoquinolin-1-one CAS Name: 3-amino-4-benzoyl-7-nitro-2H-isoquinolin-1-one IUPAC Name: 3-amino-4-benzoyl-7-nitro-2H-isoquinolin-1-one Traditional Name: 3-amino-4-benzoyl-7-nitro-isocarbostyril Formula: C16H11N3O4 MolecularWeight: 309.27624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C(NC(=O)C3=C2C=CC(=C3)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C(NC(=O)C3=C2C=CC(=C3)[N+](=O)[O-])N

InChI

InChI=1S/C16H11N3O4/c17-15-13(14(20)9-4-2-1-3-5-9)11-7-6-10(19(22)23)8-12(11)16(21)18-15/h1-8H,(H3,17,18,21)