ethyl 3-[[(2R)-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoyl]amino]benzoate

Systemtic Name: ethyl 3-[[(2R)-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoyl]amino]benzoate Openeye Name: ethyl 3-[[(2R)-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]benzoate CAS Name: 3-[[(2R)-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)butyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[(2R)-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]benzoate Traditional Name: 3-[[(2R)-2-(4-keto-1,2,3-benzotriazin-3-yl)butanoyl]amino]benzoic acid ethyl ester Formula: C20H20N4O4 MolecularWeight: 380.3972

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O4/c1-3-17(24-19(26)15-10-5-6-11-16(15)22-23-24)18(25)21-14-9-7-8-13(12-14)20(27)28-4-2/h5-12,17H,3-4H2,1-2H3,(H,21,25)/t17-/m1/s1