methyl (2S)-2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoylamino]-3-phenyl-propanoate

Systemtic Name: methyl (2S)-2-[2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)ethanoylamino]-3-phenyl-propanoate Openeye Name: methyl (2S)-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]-3-phenyl-propanoate CAS Name: (2S)-2-[[1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)ethyl]amino]-3-phenylpropanoic acid methyl ester IUPAC Name: methyl (2S)-2-[[2-(4-oxo-1,2,3-benzotriazin-3-yl)acetyl]amino]-3-phenylpropanoate Traditional Name: (2S)-2-[[2-(4-keto-1,2,3-benzotriazin-3-yl)acetyl]amino]-3-phenyl-propionic acid methyl ester Formula: C19H18N4O4 MolecularWeight: 366.37062

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CC1=CC=CC=C1)NC(=O)CN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)CN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C19H18N4O4/c1-27-19(26)16(11-13-7-3-2-4-8-13)20-17(24)12-23-18(25)14-9-5-6-10-15(14)21-22-23/h2-10,16H,11-12H2,1H3,(H,20,24)/t16-/m0/s1