2-[(6-bromanylquinolin-8-yl)carbamoyl]-3-nitro-benzoic acid

Systemtic Name: 2-[(6-bromanylquinolin-8-yl)carbamoyl]-3-nitro-benzoic acid Openeye Name: 2-[(6-bromo-8-quinolyl)carbamoyl]-3-nitro-benzoic acid CAS Name: 2-[[(6-bromo-8-quinolinyl)amino]-oxomethyl]-3-nitrobenzoic acid IUPAC Name: 2-[(6-bromoquinolin-8-yl)carbamoyl]-3-nitrobenzoic acid Traditional Name: 2-[(6-bromo-8-quinolyl)carbamoyl]-3-nitro-benzoic acid Formula: C17H10BrN3O5 MolecularWeight: 416.1824

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)NC2=C3C(=CC(=C2)Br)C=CC=N3)C(=O)O

Isomeric SMILES

C1=CC(=C(C(=C1)[N+](=O)[O-])C(=O)NC2=C3C(=CC(=C2)Br)C=CC=N3)C(=O)O

InChI

InChI=1S/C17H10BrN3O5/c18-10-7-9-3-2-6-19-15(9)12(8-10)20-16(22)14-11(17(23)24)4-1-5-13(14)21(25)26/h1-8H,(H,20,22)(H,23,24)