2-(isoquinolin-2-ium-2-ylmethyl)-4-nitro-phenolate

Systemtic Name: 2-(isoquinolin-2-ium-2-ylmethyl)-4-nitro-phenolate Openeye Name: 2-(isoquinolin-2-ium-2-ylmethyl)-4-nitro-phenolate CAS Name: 2-(2-isoquinolin-2-iumylmethyl)-4-nitrophenolate IUPAC Name: 2-(isoquinolin-2-ium-2-ylmethyl)-4-nitrophenolate Traditional Name: 2-(isoquinolin-2-ium-2-ylmethyl)-4-nitro-phenolate Formula: C16H12N2O3 MolecularWeight: 280.27808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H12N2O3/c19-16-6-5-15(18(20)21)9-14(16)11-17-8-7-12-3-1-2-4-13(12)10-17/h1-10H,11H2