(E)-4-[[6-(2H-benzotriazol-4-ylamino)-6-oxidanylidene-hexyl]amino]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[[6-(2H-benzotriazol-4-ylamino)-6-oxidanylidene-hexyl]amino]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[[6-(2H-benzotriazol-4-ylamino)-6-oxo-hexyl]amino]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[[6-(2H-benzotriazol-4-ylamino)-6-oxohexyl]amino]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[[6-(2H-benzotriazol-4-ylamino)-6-oxohexyl]amino]-4-oxobut-2-enoic acid Traditional Name: (E)-4-[[6-(2H-benzotriazol-4-ylamino)-6-keto-hexyl]amino]-4-keto-but-2-enoic acid Formula: C16H19N5O4 MolecularWeight: 345.35316

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=NNN=C2C(=C1)NC(=O)CCCCCNC(=O)C=CC(=O)O

Isomeric SMILES

C1=CC2=NNN=C2C(=C1)NC(=O)CCCCCNC(=O)/C=C/C(=O)O

InChI

InChI=1S/C16H19N5O4/c22-13(8-9-15(24)25)17-10-3-1-2-7-14(23)18-11-5-4-6-12-16(11)20-21-19-12/h4-6,8-9H,1-3,7,10H2,(H,17,22)(H,18,23)(H,24,25)(H,19,20,21)/b9-8+