2-methyl-3-(3-nitrophenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid

Systemtic Name: 2-methyl-3-(3-nitrophenyl)-1-oxidanylidene-3,4-dihydroisoquinoline-4-carboxylic acid Openeye Name: 2-methyl-3-(3-nitrophenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid CAS Name: 2-methyl-3-(3-nitrophenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid IUPAC Name: 2-methyl-3-(3-nitrophenyl)-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid Traditional Name: 1-keto-2-methyl-3-(3-nitrophenyl)-3,4-dihydroisoquinoline-4-carboxylic acid Formula: C17H14N2O5 MolecularWeight: 326.30346

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(C(C2=CC=CC=C2C1=O)C(=O)O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN1C(C(C2=CC=CC=C2C1=O)C(=O)O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H14N2O5/c1-18-15(10-5-4-6-11(9-10)19(23)24)14(17(21)22)12-7-2-3-8-13(12)16(18)20/h2-9,14-15H,1H3,(H,21,22)