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

Systemtic Name: 4-[[[(2S)-2-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoyl]amino]methyl]cyclohexane-1-carboxylate Openeye Name: 4-[[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyl]amino]methyl]cyclohexanecarboxylate CAS Name: 4-[[[(2S)-1-oxo-2-(4-oxo-1,2,3-benzotriazin-3-yl)propyl]amino]methyl]-1-cyclohexanecarboxylate IUPAC Name: 4-[[[(2S)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanoyl]amino]methyl]cyclohexane-1-carboxylate Traditional Name: 4-[[[(2S)-2-(4-keto-1,2,3-benzotriazin-3-yl)propanoyl]amino]methyl]cyclohexanecarboxylate Formula: C18H21N4O4- MolecularWeight: 357.38374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1CCC(CC1)C(=O)[O-])N2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

C[C@@H](C(=O)NCC1CCC(CC1)C(=O)[O-])N2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H22N4O4/c1-11(22-17(24)14-4-2-3-5-15(14)20-21-22)16(23)19-10-12-6-8-13(9-7-12)18(25)26/h2-5,11-13H,6-10H2,1H3,(H,19,23)(H,25,26)/p-1/t11-,12?,13?/m0/s1