(3-azanyl-7-nitro-isoquinolin-2-ium-4-yl)-phenyl-methanone

Systemtic Name: (3-azanyl-7-nitro-isoquinolin-2-ium-4-yl)-phenyl-methanone Openeye Name: (3-amino-7-nitro-isoquinolin-2-ium-4-yl)-phenyl-methanone CAS Name: (3-amino-7-nitro-4-isoquinolin-2-iumyl)-phenylmethanone IUPAC Name: (3-amino-7-nitroisoquinolin-2-ium-4-yl)-phenylmethanone Traditional Name: (3-amino-7-nitro-isoquinolin-2-ium-4-yl)-phenyl-methanone Formula: C16H12N3O3+ MolecularWeight: 294.28478

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=C3C=CC(=CC3=C[NH+]=C2N)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=C3C=CC(=CC3=C[NH+]=C2N)[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O3/c17-16-14(15(20)10-4-2-1-3-5-10)13-7-6-12(19(21)22)8-11(13)9-18-16/h1-9H,(H2,17,18)/p+1