3-azanyl-7-nitro-4-pyrrolidin-1-ylcarbonyl-2H-isoquinolin-1-one

Systemtic Name: 3-azanyl-7-nitro-4-pyrrolidin-1-ylcarbonyl-2H-isoquinolin-1-one Openeye Name: 3-amino-7-nitro-4-(pyrrolidine-1-carbonyl)-2H-isoquinolin-1-one CAS Name: 3-amino-7-nitro-4-[oxo(1-pyrrolidinyl)methyl]-2H-isoquinolin-1-one IUPAC Name: 3-amino-7-nitro-4-(pyrrolidine-1-carbonyl)-2H-isoquinolin-1-one Traditional Name: 3-amino-7-nitro-4-(pyrrolidine-1-carbonyl)isocarbostyril Formula: C14H14N4O4 MolecularWeight: 302.28536

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=C(NC(=O)C3=C2C=CC(=C3)[N+](=O)[O-])N

Isomeric SMILES

C1CCN(C1)C(=O)C2=C(NC(=O)C3=C2C=CC(=C3)[N+](=O)[O-])N

InChI

InChI=1S/C14H14N4O4/c15-12-11(14(20)17-5-1-2-6-17)9-4-3-8(18(21)22)7-10(9)13(19)16-12/h3-4,7H,1-2,5-6H2,(H3,15,16,19)