6-[[3-(benzotriazol-1-yl)-1,4-bis(oxidanylidene)naphthalen-2-ylidene]amino]hexanoic acid

Systemtic Name: 6-[[3-(benzotriazol-1-yl)-1,4-bis(oxidanylidene)naphthalen-2-ylidene]amino]hexanoic acid Openeye Name: 6-[[3-(benzotriazol-1-yl)-1,4-dioxo-tetralin-2-ylidene]amino]hexanoic acid CAS Name: 6-[[3-(1-benzotriazolyl)-1,4-dioxo-2-naphthalenylidene]amino]hexanoic acid IUPAC Name: 6-[[3-(benzotriazol-1-yl)-1,4-dioxonaphthalen-2-ylidene]amino]hexanoic acid Traditional Name: 6-[[3-(benzotriazol-1-yl)-1,4-diketo-tetralin-2-ylidene]amino]hexanoic acid Formula: C22H20N4O4 MolecularWeight: 404.4186

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C(C(=NCCCCCC(=O)O)C2=O)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C(C(=NCCCCCC(=O)O)C2=O)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C22H20N4O4/c27-18(28)12-2-1-7-13-23-19-20(26-17-11-6-5-10-16(17)24-25-26)22(30)15-9-4-3-8-14(15)21(19)29/h3-6,8-11,20H,1-2,7,12-13H2,(H,27,28)