[2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoate

Systemtic Name: [2-(butylcarbamoylamino)-2-oxidanylidene-ethyl] 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoate Openeye Name: [2-(butylcarbamoylamino)-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 [2-[[butylamino(oxo)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(butylcarbamoylamino)-2-oxoethyl] 3-(4-oxo-1,2,3-benzotriazin-3-yl)propanoate Traditional Name: 3-(4-keto-1,2,3-benzotriazin-3-yl)propionic acid [2-(butylcarbamoylamino)-2-keto-ethyl] ester Formula: C17H21N5O5 MolecularWeight: 375.37914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NC(=O)COC(=O)CCN1C(=O)C2=CC=CC=C2N=N1

Isomeric SMILES

CCCCNC(=O)NC(=O)COC(=O)CCN1C(=O)C2=CC=CC=C2N=N1

InChI

InChI=1S/C17H21N5O5/c1-2-3-9-18-17(26)19-14(23)11-27-15(24)8-10-22-16(25)12-6-4-5-7-13(12)20-21-22/h4-7H,2-3,8-11H2,1H3,(H2,18,19,23,26)