2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid

Systemtic Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]-1,3-bis(oxidanylidene)isoindole-5-carboxylic acid Openeye Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]-1,3-dioxo-isoindoline-5-carboxylic acid CAS Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrophenyl]-1,3-dioxo-5-isoindolecarboxylic acid IUPAC Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitrophenyl]-1,3-dioxoisoindole-5-carboxylic acid Traditional Name: 2-[4-(3,4-dihydro-1H-isoquinolin-2-yl)-3-nitro-phenyl]-1,3-diketo-isoindoline-5-carboxylic acid Formula: C24H17N3O6 MolecularWeight: 443.40828

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC2=CC=CC=C21)C3=C(C=C(C=C3)N4C(=O)C5=C(C4=O)C=C(C=C5)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C24H17N3O6/c28-22-18-7-5-15(24(30)31)11-19(18)23(29)26(22)17-6-8-20(21(12-17)27(32)33)25-10-9-14-3-1-2-4-16(14)13-25/h1-8,11-12H,9-10,13H2,(H,30,31)