[1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoate

Systemtic Name: [1-(cyclohexylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoate Openeye Name: [2-(cyclohexylcarbamoylamino)-1-methyl-2-oxo-ethyl] 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate CAS Name: 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoic acid [1-[[(cyclohexylamino)-oxomethyl]amino]-1-oxopropan-2-yl] ester IUPAC Name: [1-(cyclohexylcarbamoylamino)-1-oxopropan-2-yl] 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate Traditional Name: 3-(4-keto-1,2,3-benzotriazin-3-yl)propionic acid [2-(cyclohexylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C20H25N5O5 MolecularWeight: 415.443

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC1CCCCC1)OC(=O)CCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C(=O)NC(=O)NC1CCCCC1)OC(=O)CCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C20H25N5O5/c1-13(18(27)22-20(29)21-14-7-3-2-4-8-14)30-17(26)11-12-25-19(28)15-9-5-6-10-16(15)23-24-25/h5-6,9-10,13-14H,2-4,7-8,11-12H2,1H3,(H2,21,22,27,29)