4-[2-[4-azanyl-3,5-bis(bromanyl)phenyl]ethylamino]-3-[(3-oxidanyl-3-oxidanylidene-propanoyl)amino]benzoic acid hydrochloride

Systemtic Name: 4-[2-[4-azanyl-3,5-bis(bromanyl)phenyl]ethylamino]-3-[(3-oxidanyl-3-oxidanylidene-propanoyl)amino]benzoic acid hydrochloride Openeye Name: 4-[2-(4-amino-3,5-dibromo-phenyl)ethylamino]-3-[(3-hydroxy-3-oxo-propanoyl)amino]benzoic acid hydrochloride CAS Name: 4-[2-(4-amino-3,5-dibromophenyl)ethylamino]-3-[(3-hydroxy-1,3-dioxopropyl)amino]benzoic acid hydrochloride IUPAC Name: 4-[2-(4-amino-3,5-dibromophenyl)ethylamino]-3-[(3-hydroxy-3-oxopropanoyl)amino]benzoic acid hydrochloride Traditional Name: 4-[2-(4-amino-3,5-dibromo-phenyl)ethylamino]-3-[(3-hydroxy-3-keto-propanoyl)amino]benzoic acid hydrochloride Formula: C18H18Br2ClN3O5 MolecularWeight: 551.61362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)O)NC(=O)CC(=O)O)NCCC2=CC(=C(C(=C2)Br)N)Br.Cl

Isomeric SMILES

C1=CC(=C(C=C1C(=O)O)NC(=O)CC(=O)O)NCCC2=CC(=C(C(=C2)Br)N)Br.Cl

InChI

InChI=1S/C18H17Br2N3O5.ClH/c19-11-5-9(6-12(20)17(11)21)3-4-22-13-2-1-10(18(27)28)7-14(13)23-15(24)8-16(25)26;/h1-2,5-7,22H,3-4,8,21H2,(H,23,24)(H,25,26)(H,27,28);1H