hexadecyl 3-[[2-(benzotriazol-1-yl)-3-methyl-4-oxidanylidene-but-3-enoyl]amino]-4-chloranyl-benzoate

Systemtic Name: hexadecyl 3-[[2-(benzotriazol-1-yl)-3-methyl-4-oxidanylidene-but-3-enoyl]amino]-4-chloranyl-benzoate Openeye Name: hexadecyl 3-[[2-(benzotriazol-1-yl)-3-methyl-4-oxo-but-3-enoyl]amino]-4-chloro-benzoate CAS Name: 3-[[2-(1-benzotriazolyl)-3-methyl-1,4-dioxobut-3-enyl]amino]-4-chlorobenzoic acid hexadecyl ester IUPAC Name: hexadecyl 3-[[2-(benzotriazol-1-yl)-3-methyl-4-oxobut-3-enoyl]amino]-4-chlorobenzoate Traditional Name: 3-[[2-(benzotriazol-1-yl)-4-keto-3-methyl-but-3-enoyl]amino]-4-chloro-benzoic acid cetyl ester Formula: C34H45ClN4O4 MolecularWeight: 609.1985

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C(=C=O)C)N2C3=CC=CC=C3N=N2

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1)Cl)NC(=O)C(C(=C=O)C)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C34H45ClN4O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23-43-34(42)27-21-22-28(35)30(24-27)36-33(41)32(26(2)25-40)39-31-20-17-16-19-29(31)37-38-39/h16-17,19-22,24,32H,3-15,18,23H2,1-2H3,(H,36,41)