(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-azanyl-2-[(4-chlorophenyl)carbonylamino]-4-oxidanylidene-butanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 4-azanyl-2-[(4-chlorophenyl)carbonylamino]-4-oxidanylidene-butanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-amino-2-[(4-chlorobenzoyl)amino]-4-oxo-butanoate CAS Name: 4-amino-2-[[(4-chlorophenyl)-oxomethyl]amino]-4-oxobutanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 4-amino-2-[(4-chlorobenzoyl)amino]-4-oxobutanoate Traditional Name: 4-amino-2-[(4-chlorobenzoyl)amino]-4-keto-butyric acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C19H16ClN5O5 MolecularWeight: 429.81384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C(CC(=O)N)NC(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(N=N2)COC(=O)C(CC(=O)N)NC(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H16ClN5O5/c20-12-7-5-11(6-8-12)17(27)22-15(9-16(21)26)19(29)30-10-25-18(28)13-3-1-2-4-14(13)23-24-25/h1-8,15H,9-10H2,(H2,21,26)(H,22,27)