2-[[5-methyl-4-oxidanylidene-6-(4-oxidanylidenebut-3-enoylamino)-3,1-benzoxazin-2-yl]amino]-3-phenyl-propanoic acid

Systemtic Name: 2-[[5-methyl-4-oxidanylidene-6-(4-oxidanylidenebut-3-enoylamino)-3,1-benzoxazin-2-yl]amino]-3-phenyl-propanoic acid Openeye Name: 2-[[5-methyl-4-oxo-6-(4-oxobut-3-enoylamino)-3,1-benzoxazin-2-yl]amino]-3-phenyl-propanoic acid CAS Name: 2-[[6-(1,4-dioxobut-3-enylamino)-5-methyl-4-oxo-3,1-benzoxazin-2-yl]amino]-3-phenylpropanoic acid IUPAC Name: 2-[[5-methyl-4-oxo-6-(4-oxobut-3-enoylamino)-3,1-benzoxazin-2-yl]amino]-3-phenylpropanoic acid Traditional Name: 2-[[4-keto-6-(4-ketobut-3-enoylamino)-5-methyl-3,1-benzoxazin-2-yl]amino]-3-phenyl-propionic acid Formula: C22H19N3O6 MolecularWeight: 421.40276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=O)OC(=N2)NC(CC3=CC=CC=C3)C(=O)O)NC(=O)CC=C=O

Isomeric SMILES

CC1=C(C=CC2=C1C(=O)OC(=N2)NC(CC3=CC=CC=C3)C(=O)O)NC(=O)CC=C=O

InChI

InChI=1S/C22H19N3O6/c1-13-15(23-18(27)8-5-11-26)9-10-16-19(13)21(30)31-22(24-16)25-17(20(28)29)12-14-6-3-2-4-7-14/h2-7,9-10,17H,8,12H2,1H3,(H,23,27)(H,24,25)(H,28,29)