4-[2-(5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)-2-(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)hydrazinyl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-(5-methyl-4-oxidanylidene-3,1-benzoxazin-2-yl)-2-(1-oxidanyl-1-oxidanylidene-3-phenyl-propan-2-yl)hydrazinyl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-(1-benzyl-2-hydroxy-2-oxo-ethyl)-2-(5-methyl-4-oxo-3,1-benzoxazin-2-yl)hydrazino]-4-oxo-butanoic acid CAS Name: 4-[2-(1-hydroxy-1-oxo-3-phenylpropan-2-yl)-2-(5-methyl-4-oxo-3,1-benzoxazin-2-yl)hydrazinyl]-4-oxobutanoic acid IUPAC Name: 4-[2-(1-hydroxy-1-oxo-3-phenylpropan-2-yl)-2-(5-methyl-4-oxo-3,1-benzoxazin-2-yl)hydrazinyl]-4-oxobutanoic acid Traditional Name: 4-[N'-(1-benzyl-2-hydroxy-2-keto-ethyl)-N'-(4-keto-5-methyl-3,1-benzoxazin-2-yl)hydrazino]-4-keto-butyric acid Formula: C22H21N3O7 MolecularWeight: 439.41804

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N=C(OC2=O)N(C(CC3=CC=CC=C3)C(=O)O)NC(=O)CCC(=O)O

Isomeric SMILES

CC1=C2C(=CC=C1)N=C(OC2=O)N(C(CC3=CC=CC=C3)C(=O)O)NC(=O)CCC(=O)O

InChI

InChI=1S/C22H21N3O7/c1-13-6-5-9-15-19(13)21(31)32-22(23-15)25(24-17(26)10-11-18(27)28)16(20(29)30)12-14-7-3-2-4-8-14/h2-9,16H,10-12H2,1H3,(H,24,26)(H,27,28)(H,29,30)