2-azanyl-5-(4-azanyl-3-carboxy-phenyl)carbonyl-benzoic acid; bis(4-azanyl-3-bromanyl-phenyl)methanone

Systemtic Name: 2-azanyl-5-(4-azanyl-3-carboxy-phenyl)carbonyl-benzoic acid; bis(4-azanyl-3-bromanyl-phenyl)methanone Openeye Name: 2-amino-5-(4-amino-3-carboxy-benzoyl)benzoic acid; bis(4-amino-3-bromo-phenyl)methanone CAS Name: 2-amino-5-[(4-amino-3-carboxyphenyl)-oxomethyl]benzoic acid; bis(4-amino-3-bromophenyl)methanone IUPAC Name: 2-amino-5-(4-amino-3-carboxybenzoyl)benzoic acid; bis(4-amino-3-bromophenyl)methanone Traditional Name: 2-amino-5-(4-amino-3-carboxy-benzoyl)benzoic acid; bis(4-amino-3-bromo-phenyl)methanone Formula: C28H22Br2N4O6 MolecularWeight: 670.30548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)N)C(=O)O)C(=O)O)N.C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)N)Br)Br)N

Isomeric SMILES

C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)N)C(=O)O)C(=O)O)N.C1=CC(=C(C=C1C(=O)C2=CC(=C(C=C2)N)Br)Br)N

InChI

InChI=1S/C15H12N2O5.C13H10Br2N2O/c16-11-3-1-7(5-9(11)14(19)20)13(18)8-2-4-12(17)10(6-8)15(21)22;14-9-5-7(1-3-11(9)16)13(18)8-2-4-12(17)10(15)6-8/h1-6H,16-17H2,(H,19,20)(H,21,22);1-6H,16-17H2