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

Systemtic Name: [1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(4-oxidanylidene-1,2,3-benzotriazin-3-yl)propanoate Openeye Name: [2-(3-acetylanilino)-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-(3-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(3-acetylanilino)-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-(3-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C21H20N4O5 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)OC(=O)CCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)OC(=O)CCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C21H20N4O5/c1-13(26)15-6-5-7-16(12-15)22-20(28)14(2)30-19(27)10-11-25-21(29)17-8-3-4-9-18(17)23-24-25/h3-9,12,14H,10-11H2,1-2H3,(H,22,28)