5-(isoquinolin-1-ylmethylcarbamoyl)-2-nitro-phenolate

Systemtic Name: 5-(isoquinolin-1-ylmethylcarbamoyl)-2-nitro-phenolate Openeye Name: 5-(1-isoquinolylmethylcarbamoyl)-2-nitro-phenolate CAS Name: 5-[(1-isoquinolinylmethylamino)-oxomethyl]-2-nitrophenolate IUPAC Name: 5-(isoquinolin-1-ylmethylcarbamoyl)-2-nitrophenolate Traditional Name: 5-(1-isoquinolylmethylcarbamoyl)-2-nitro-phenolate Formula: C17H12N3O4- MolecularWeight: 322.29488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2CNC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2CNC(=O)C3=CC(=C(C=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H13N3O4/c21-16-9-12(5-6-15(16)20(23)24)17(22)19-10-14-13-4-2-1-3-11(13)7-8-18-14/h1-9,21H,10H2,(H,19,22)/p-1