2-[(6-bromanylquinolin-8-yl)-(2,4-dinitrophenyl)carbonyl-carbamoyl]benzoic acid

Systemtic Name: 2-[(6-bromanylquinolin-8-yl)-(2,4-dinitrophenyl)carbonyl-carbamoyl]benzoic acid Openeye Name: 2-[(6-bromo-8-quinolyl)-(2,4-dinitrobenzoyl)carbamoyl]benzoic acid CAS Name: 2-[[(6-bromo-8-quinolinyl)-[(2,4-dinitrophenyl)-oxomethyl]amino]-oxomethyl]benzoic acid IUPAC Name: 2-[(6-bromoquinolin-8-yl)-(2,4-dinitrobenzoyl)carbamoyl]benzoic acid Traditional Name: 2-[(6-bromo-8-quinolyl)-(2,4-dinitrobenzoyl)carbamoyl]benzoic acid Formula: C24H13BrN4O8 MolecularWeight: 565.28602

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)N(C2=C3C(=CC(=C2)Br)C=CC=N3)C(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)N(C2=C3C(=CC(=C2)Br)C=CC=N3)C(=O)C4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C24H13BrN4O8/c25-14-10-13-4-3-9-26-21(13)20(11-14)27(22(30)16-5-1-2-6-17(16)24(32)33)23(31)18-8-7-15(28(34)35)12-19(18)29(36)37/h1-12H,(H,32,33)