6-methyl-9-nitro-benzimidazolo[2,1-a]isoquinoline-5-carboxylic acid

Systemtic Name: 6-methyl-9-nitro-benzimidazolo[2,1-a]isoquinoline-5-carboxylic acid Openeye Name: 6-methyl-9-nitro-benzimidazolo[2,1-a]isoquinoline-5-carboxylic acid CAS Name: 6-methyl-9-nitro-5-benzimidazolo[2,1-a]isoquinolinecarboxylic acid IUPAC Name: 6-methyl-9-nitrobenzimidazolo[2,1-a]isoquinoline-5-carboxylic acid Traditional Name: 6-methyl-9-nitro-benzimidazol[2,1-a]isoquinoline-5-carboxylic acid Formula: C17H11N3O4 MolecularWeight: 321.28694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2C3=NC4=C(N13)C=C(C=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C2=CC=CC=C2C3=NC4=C(N13)C=C(C=C4)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H11N3O4/c1-9-15(17(21)22)11-4-2-3-5-12(11)16-18-13-7-6-10(20(23)24)8-14(13)19(9)16/h2-8H,1H3,(H,21,22)