3-[[2-(benzotriazol-1-yl)-4,4-dimethyl-3-oxidanylidene-pentanoyl]amino]-4-chloranyl-benzoic acid

Systemtic Name: 3-[[2-(benzotriazol-1-yl)-4,4-dimethyl-3-oxidanylidene-pentanoyl]amino]-4-chloranyl-benzoic acid Openeye Name: 3-[[2-(benzotriazol-1-yl)-4,4-dimethyl-3-oxo-pentanoyl]amino]-4-chloro-benzoic acid CAS Name: 3-[[2-(1-benzotriazolyl)-4,4-dimethyl-1,3-dioxopentyl]amino]-4-chlorobenzoic acid IUPAC Name: 3-[[2-(benzotriazol-1-yl)-4,4-dimethyl-3-oxopentanoyl]amino]-4-chlorobenzoic acid Traditional Name: 3-[[2-(benzotriazol-1-yl)-3-keto-4,4-dimethyl-pentanoyl]amino]-4-chloro-benzoic acid Formula: C20H19ClN4O4 MolecularWeight: 414.84226

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)N2C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C)(C)C(=O)C(C(=O)NC1=C(C=CC(=C1)C(=O)O)Cl)N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C20H19ClN4O4/c1-20(2,3)17(26)16(25-15-7-5-4-6-13(15)23-24-25)18(27)22-14-10-11(19(28)29)8-9-12(14)21/h4-10,16H,1-3H3,(H,22,27)(H,28,29)