methyl 4-[[(2S)-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoyl]amino]benzoate

Systemtic Name: methyl 4-[[(2S)-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoyl]amino]benzoate Openeye Name: methyl 4-[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyl]amino]benzoate CAS Name: 4-[[(2S)-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyl]amino]benzoate Traditional Name: 4-[[(2S)-2-(4-keto-1,2,3-benzotriazin-3-yl)propanoyl]amino]benzoic acid methyl ester Formula: C18H16N4O4 MolecularWeight: 352.34404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(=O)OC)N2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)C(=O)OC)N2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H16N4O4/c1-11(22-17(24)14-5-3-4-6-15(14)20-21-22)16(23)19-13-9-7-12(8-10-13)18(25)26-2/h3-11H,1-2H3,(H,19,23)/t11-/m0/s1