4-[2-[[4-(2H-benzotriazol-5-yldiazenyl)phenyl]amino]ethylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-[[4-(2H-benzotriazol-5-yldiazenyl)phenyl]amino]ethylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[4-(2H-benzotriazol-5-ylazo)anilino]ethylamino]-4-oxo-butanoic acid CAS Name: 4-[2-[4-(2H-benzotriazol-5-ylazo)anilino]ethylamino]-4-oxobutanoic acid IUPAC Name: 4-[2-[4-(2H-benzotriazol-5-yldiazenyl)anilino]ethylamino]-4-oxobutanoic acid Traditional Name: 4-[2-[4-(2H-benzotriazol-5-ylazo)anilino]ethylamino]-4-keto-butyric acid Formula: C18H19N7O3 MolecularWeight: 381.38856

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NCCNC(=O)CCC(=O)O)N=NC2=CC3=NNN=C3C=C2

Isomeric SMILES

C1=CC(=CC=C1NCCNC(=O)CCC(=O)O)N=NC2=CC3=NNN=C3C=C2

InChI

InChI=1S/C18H19N7O3/c26-17(7-8-18(27)28)20-10-9-19-12-1-3-13(4-2-12)21-22-14-5-6-15-16(11-14)24-25-23-15/h1-6,11,19H,7-10H2,(H,20,26)(H,27,28)(H,23,24,25)