methyl 4-chloranyl-2-[3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]benzoate

Systemtic Name: methyl 4-chloranyl-2-[3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoylamino]benzoate Openeye Name: methyl 4-chloro-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzoate CAS Name: 4-chloro-2-[[1-oxo-3-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-chloro-2-[3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoylamino]benzoate Traditional Name: 4-chloro-2-[3-(4-keto-1,2,3-benzotriazin-3-yl)propanoylamino]benzoic acid methyl ester Formula: C18H15ClN4O4 MolecularWeight: 386.7891

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)Cl)NC(=O)CCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)Cl)NC(=O)CCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H15ClN4O4/c1-27-18(26)13-7-6-11(19)10-15(13)20-16(24)8-9-23-17(25)12-4-2-3-5-14(12)21-22-23/h2-7,10H,8-9H2,1H3,(H,20,24)