2-[(7-bromanylquinolin-5-yl)-(2-carboxyphenyl)carbonyl-carbamoyl]-4-nitro-benzoic acid

Systemtic Name: 2-[(7-bromanylquinolin-5-yl)-(2-carboxyphenyl)carbonyl-carbamoyl]-4-nitro-benzoic acid Openeye Name: 2-[(7-bromo-5-quinolyl)-(2-carboxybenzoyl)carbamoyl]-4-nitro-benzoic acid CAS Name: 2-[[(7-bromo-5-quinolinyl)-[(2-carboxyphenyl)-oxomethyl]amino]-oxomethyl]-4-nitrobenzoic acid IUPAC Name: 2-[(7-bromoquinolin-5-yl)-(2-carboxybenzoyl)carbamoyl]-4-nitrobenzoic acid Traditional Name: 2-[(7-bromo-5-quinolyl)-(2-carboxybenzoyl)carbamoyl]-4-nitro-benzoic acid Formula: C25H14BrN3O8 MolecularWeight: 564.29796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)N(C2=C3C=CC=NC3=CC(=C2)Br)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)N(C2=C3C=CC=NC3=CC(=C2)Br)C(=O)C4=C(C=CC(=C4)[N+](=O)[O-])C(=O)O)C(=O)O

InChI

InChI=1S/C25H14BrN3O8/c26-13-10-20-18(6-3-9-27-20)21(11-13)28(22(30)15-4-1-2-5-16(15)24(32)33)23(31)19-12-14(29(36)37)7-8-17(19)25(34)35/h1-12H,(H,32,33)(H,34,35)