(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(furan-2-ylcarbonylamino)-3-phenyl-propanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(furan-2-carbonylamino)-3-phenyl-propanoate CAS Name: 2-[[2-furanyl(oxo)methyl]amino]-3-phenylpropanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(furan-2-carbonylamino)-3-phenylpropanoate Traditional Name: 2-(2-furoylamino)-3-phenyl-propionic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C22H18N4O5 MolecularWeight: 418.40212

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC(C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)NC(=O)C4=CC=CO4

Isomeric SMILES

C1=CC=C(C=C1)CC(C(=O)OCN2C(=O)C3=CC=CC=C3N=N2)NC(=O)C4=CC=CO4

InChI

InChI=1S/C22H18N4O5/c27-20(19-11-6-12-30-19)23-18(13-15-7-2-1-3-8-15)22(29)31-14-26-21(28)16-9-4-5-10-17(16)24-25-26/h1-12,18H,13-14H2,(H,23,27)