4-[[4-(cyanomethyl)-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-7-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[4-(cyanomethyl)-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-7-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[4-(cyanomethyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-7-yl]amino]-4-oxo-butanoate CAS Name: 4-[[4-(cyanomethyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-7-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[4-(cyanomethyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-7-yl]amino]-4-oxobutanoate Traditional Name: 4-[[4-(cyanomethyl)-3-keto-2,2-dimethyl-1,4-benzoxazin-7-yl]amino]-4-keto-butyrate Formula: C16H16N3O5- MolecularWeight: 330.31534

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O5/c1-16(2)15(23)19(8-7-17)11-4-3-10(9-12(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)/p-1