5-bromanyl-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine; 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid

Systemtic Name: 5-bromanyl-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine; 4-[(3-carboxy-2-oxidanyl-naphthalen-1-yl)methyl]-3-oxidanyl-naphthalene-2-carboxylic acid Openeye Name: 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine; 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-naphthalene-2-carboxylic acid CAS Name: 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)-6-quinoxalinamine; 4-[(3-carboxy-2-hydroxy-1-naphthalenyl)methyl]-3-hydroxy-2-naphthalenecarboxylic acid IUPAC Name: 5-bromo-N-(4,5-dihydro-1H-imidazol-2-yl)quinoxalin-6-amine; 4-[(3-carboxy-2-hydroxynaphthalen-1-yl)methyl]-3-hydroxynaphthalene-2-carboxylic acid Traditional Name: (5-bromoquinoxalin-6-yl)-(2-imidazolin-2-yl)amine; 4-[(3-carboxy-2-hydroxy-1-naphthyl)methyl]-3-hydroxy-2-naphthoic acid Formula: C34H26BrN5O6 MolecularWeight: 680.50414

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)NC2=C(C3=NC=CN=C3C=C2)Br.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O

Isomeric SMILES

C1CN=C(N1)NC2=C(C3=NC=CN=C3C=C2)Br.C1=CC=C2C(=C1)C=C(C(=C2CC3=C(C(=CC4=CC=CC=C43)C(=O)O)O)O)C(=O)O

InChI

InChI=1S/C23H16O6.C11H10BrN5/c24-20-16(14-7-3-1-5-12(14)9-18(20)22(26)27)11-17-15-8-4-2-6-13(15)10-19(21(17)25)23(28)29;12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-10,24-25H,11H2,(H,26,27)(H,28,29);1-4H,5-6H2,(H2,15,16,17)