5-carboxy-N-isoquinolin-1-yl-5-methyl-3-nitro-4-oxidanyl-cyclohexa-1,3-diene-1-carbonitrilium

Systemtic Name: 5-carboxy-N-isoquinolin-1-yl-5-methyl-3-nitro-4-oxidanyl-cyclohexa-1,3-diene-1-carbonitrilium Openeye Name: 5-carboxy-4-hydroxy-N-(1-isoquinolyl)-5-methyl-3-nitro-cyclohexa-1,3-diene-1-carbonitrilium CAS Name: 5-carboxy-4-hydroxy-N-(1-isoquinolinyl)-5-methyl-3-nitro-1-cyclohexa-1,3-dienecarbonitrilium IUPAC Name: 5-carboxy-4-hydroxy-N-isoquinolin-1-yl-5-methyl-3-nitrocyclohexa-1,3-diene-1-carbonitrilium Traditional Name: 5-carboxy-4-hydroxy-N-(1-isoquinolyl)-5-methyl-3-nitro-cyclohexa-1,3-diene-1-carbonitrilium Formula: C18H14N3O5+ MolecularWeight: 352.32086

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=CC(=C1O)[N+](=O)[O-])C#[N+]C2=NC=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC1(CC(=CC(=C1O)[N+](=O)[O-])C#[N+]C2=NC=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C18H13N3O5/c1-18(17(23)24)9-11(8-14(15(18)22)21(25)26)10-20-16-13-5-3-2-4-12(13)6-7-19-16/h2-8H,9H2,1H3,(H,23,24)/p+1