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

Systemtic Name: 4-[[(2R)-4-(cyanomethyl)-2-methyl-3-oxidanylidene-1,4-benzoxazin-6-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[(2R)-4-(cyanomethyl)-2-methyl-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxo-butanoate CAS Name: 4-[[(2R)-4-(cyanomethyl)-2-methyl-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[(2R)-4-(cyanomethyl)-2-methyl-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxobutanoate Traditional Name: 4-[[(2R)-4-(cyanomethyl)-3-keto-2-methyl-1,4-benzoxazin-6-yl]amino]-4-keto-butyrate Formula: C15H14N3O5- MolecularWeight: 316.28876

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)NC(=O)CCC(=O)[O-])CC#N

Isomeric SMILES

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

InChI

InChI=1S/C15H15N3O5/c1-9-15(22)18(7-6-16)11-8-10(2-3-12(11)23-9)17-13(19)4-5-14(20)21/h2-3,8-9H,4-5,7H2,1H3,(H,17,19)(H,20,21)/p-1/t9-/m1/s1