(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[(2-chloranyl-5-nitro-phenyl)carbonylamino]-3-methyl-butanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[(2-chloranyl-5-nitro-phenyl)carbonylamino]-3-methyl-butanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(2-chloro-5-nitro-benzoyl)amino]-3-methyl-butanoate CAS Name: 2-[[(2-chloro-5-nitrophenyl)-oxomethyl]amino]-3-methylbutanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(2-chloro-5-nitrobenzoyl)amino]-3-methylbutanoate Traditional Name: 2-[(2-chloro-5-nitro-benzoyl)amino]-3-methyl-butyric acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C20H18ClN5O6 MolecularWeight: 459.83982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)C(C(=O)OCN1C(=O)C2=CC=CC=C2N=N1)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H18ClN5O6/c1-11(2)17(22-18(27)14-9-12(26(30)31)7-8-15(14)21)20(29)32-10-25-19(28)13-5-3-4-6-16(13)23-24-25/h3-9,11,17H,10H2,1-2H3,(H,22,27)