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

Systemtic Name: 4-[(2S)-2-methyl-4-[2-(methylamino)-2-oxidanylidene-ethyl]-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(2S)-2-methyl-4-[2-(methylamino)-2-oxo-ethyl]-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoic acid CAS Name: 4-[(2S)-2-methyl-4-[2-(methylamino)-2-oxoethyl]-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoic acid IUPAC Name: 4-[(2S)-2-methyl-4-[2-(methylamino)-2-oxoethyl]-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoic acid Traditional Name: 4-keto-4-[(2S)-3-keto-4-[2-keto-2-(methylamino)ethyl]-2-methyl-1,4-benzoxazin-6-yl]butyric acid Formula: C16H18N2O6 MolecularWeight: 334.32392

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCC(=O)O)CC(=O)NC

Isomeric SMILES

C[C@H]1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCC(=O)O)CC(=O)NC

InChI

InChI=1S/C16H18N2O6/c1-9-16(23)18(8-14(20)17-2)11-7-10(3-5-13(11)24-9)12(19)4-6-15(21)22/h3,5,7,9H,4,6,8H2,1-2H3,(H,17,20)(H,21,22)/t9-/m0/s1