4-[[(2S)-4-ethyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[(2S)-4-ethyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[[(2S)-4-ethyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxo-butanoic acid CAS Name: 4-[[(2S)-4-ethyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxobutanoic acid IUPAC Name: 4-[[(2S)-4-ethyl-2-methyl-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxobutanoic acid Traditional Name: 4-[[(2S)-4-ethyl-3-keto-2-methyl-1,4-benzoxazin-6-yl]amino]-4-keto-butyric acid Formula: C15H18N2O5 MolecularWeight: 306.31382

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=CC(=C2)NC(=O)CCC(=O)O)OC(C1=O)C

Isomeric SMILES

CCN1C2=C(C=CC(=C2)NC(=O)CCC(=O)O)O[C@H](C1=O)C

InChI

InChI=1S/C15H18N2O5/c1-3-17-11-8-10(16-13(18)6-7-14(19)20)4-5-12(11)22-9(2)15(17)21/h4-5,8-9H,3,6-7H2,1-2H3,(H,16,18)(H,19,20)/t9-/m0/s1