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

Systemtic Name: 4-[[(2R)-4-(cyanomethyl)-2-ethyl-3-oxidanylidene-1,4-benzoxazin-6-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[(2R)-4-(cyanomethyl)-2-ethyl-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxo-butanoate CAS Name: 4-[[(2R)-4-(cyanomethyl)-2-ethyl-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[(2R)-4-(cyanomethyl)-2-ethyl-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxobutanoate Traditional Name: 4-[[(2R)-4-(cyanomethyl)-2-ethyl-3-keto-1,4-benzoxazin-6-yl]amino]-4-keto-butyrate Formula: C16H16N3O5- MolecularWeight: 330.31534

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O5/c1-2-12-16(23)19(8-7-17)11-9-10(3-4-13(11)24-12)18-14(20)5-6-15(21)22/h3-4,9,12H,2,5-6,8H2,1H3,(H,18,20)(H,21,22)/p-1/t12-/m1/s1