4-[[4-(cyanomethyl)-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-6-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-(cyanomethyl)-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-6-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[4-(cyanomethyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[4-(cyanomethyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[4-(cyanomethyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[4-(cyanomethyl)-3-keto-2,2-dimethyl-1,4-benzoxazin-6-yl]amino]-4-keto-butyric acid Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C2=C(O1)C=CC(=C2)NC(=O)CCC(=O)O)CC#N)C

Isomeric SMILES

CC1(C(=O)N(C2=C(O1)C=CC(=C2)NC(=O)CCC(=O)O)CC#N)C

InChI

InChI=1S/C16H17N3O5/c1-16(2)15(23)19(8-7-17)11-9-10(3-4-12(11)24-16)18-13(20)5-6-14(21)22/h3-4,9H,5-6,8H2,1-2H3,(H,18,20)(H,21,22)