4-[(2R)-4-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate

Systemtic Name: 4-[(2R)-4-(2-azanyl-2-oxidanylidene-ethyl)-2-ethyl-3-oxidanylidene-1,4-benzoxazin-6-yl]-4-oxidanylidene-butanoate Openeye Name: 4-[(2R)-4-(2-amino-2-oxo-ethyl)-2-ethyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxo-butanoate CAS Name: 4-[(2R)-4-(2-amino-2-oxoethyl)-2-ethyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoate IUPAC Name: 4-[(2R)-4-(2-amino-2-oxoethyl)-2-ethyl-3-oxo-1,4-benzoxazin-6-yl]-4-oxobutanoate Traditional Name: 4-[(2R)-4-(2-amino-2-keto-ethyl)-2-ethyl-3-keto-1,4-benzoxazin-6-yl]-4-keto-butyrate Formula: C16H17N2O6- MolecularWeight: 333.31598

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)CCC(=O)[O-])CC(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O6/c1-2-12-16(23)18(8-14(17)20)10-7-9(3-5-13(10)24-12)11(19)4-6-15(21)22/h3,5,7,12H,2,4,6,8H2,1H3,(H2,17,20)(H,21,22)/p-1/t12-/m1/s1