2-[(2-bromanyl-4-nitro-phenyl)-(2-carboxyphenyl)carbonyl-carbamoyl]-4-nitro-benzoic acid

Systemtic Name: 2-[(2-bromanyl-4-nitro-phenyl)-(2-carboxyphenyl)carbonyl-carbamoyl]-4-nitro-benzoic acid Openeye Name: 2-[(2-bromo-4-nitro-phenyl)-(2-carboxybenzoyl)carbamoyl]-4-nitro-benzoic acid CAS Name: 2-[(2-bromo-N-[(2-carboxyphenyl)-oxomethyl]-4-nitroanilino)-oxomethyl]-4-nitrobenzoic acid IUPAC Name: 2-[(2-bromo-4-nitrophenyl)-(2-carboxybenzoyl)carbamoyl]-4-nitrobenzoic acid Traditional Name: 2-[(2-bromo-4-nitro-phenyl)-(2-carboxybenzoyl)carbamoyl]-4-nitro-benzoic acid Formula: C22H12BrN3O10 MolecularWeight: 558.24878

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)N(C2=C(C=C(C=C2)[N+](=O)[O-])Br)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)N(C2=C(C=C(C=C2)[N+](=O)[O-])Br)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])C(=O)O)C(=O)O

InChI

InChI=1S/C22H12BrN3O10/c23-17-10-12(26(35)36)6-8-18(17)24(19(27)13-3-1-2-4-14(13)21(29)30)20(28)16-9-11(25(33)34)5-7-15(16)22(31)32/h1-10H,(H,29,30)(H,31,32)