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

Systemtic Name: ethyl 3-[[(2S)-3-methyl-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)butanoyl]amino]benzoate Openeye Name: ethyl 3-[[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]benzoate CAS Name: 3-[[(2S)-3-methyl-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)butyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[(2S)-3-methyl-2-(4-oxo-1,2,3-benzotriazin-3-yl)butanoyl]amino]benzoate Traditional Name: 3-[[(2S)-2-(4-keto-1,2,3-benzotriazin-3-yl)-3-methyl-butanoyl]amino]benzoic acid ethyl ester Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)C(C(C)C)N2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)[C@H](C(C)C)N2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C21H22N4O4/c1-4-29-21(28)14-8-7-9-15(12-14)22-19(26)18(13(2)3)25-20(27)16-10-5-6-11-17(16)23-24-25/h5-13,18H,4H2,1-3H3,(H,22,26)/t18-/m0/s1