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

Systemtic Name: 4-[[4-(cyanomethyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[4-(cyanomethyl)-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxo-butanoate CAS Name: 4-[[4-(cyanomethyl)-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[4-(cyanomethyl)-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxobutanoate Traditional Name: 4-[[4-(cyanomethyl)-3-keto-1,4-benzoxazin-6-yl]amino]-4-keto-butyrate Formula: C14H12N3O5- MolecularWeight: 302.26218

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=C(O1)C=CC(=C2)NC(=O)CCC(=O)[O-])CC#N

Isomeric SMILES

C1C(=O)N(C2=C(O1)C=CC(=C2)NC(=O)CCC(=O)[O-])CC#N

InChI

InChI=1S/C14H13N3O5/c15-5-6-17-10-7-9(16-12(18)3-4-14(20)21)1-2-11(10)22-8-13(17)19/h1-2,7H,3-4,6,8H2,(H,16,18)(H,20,21)/p-1