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

Systemtic Name: 4-[[4-(2-azanyl-2-oxidanylidene-ethyl)-3-oxidanylidene-1,4-benzoxazin-6-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[4-(2-amino-2-oxo-ethyl)-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxo-butanoate CAS Name: 4-[[4-(2-amino-2-oxoethyl)-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[4-(2-amino-2-oxoethyl)-3-oxo-1,4-benzoxazin-6-yl]amino]-4-oxobutanoate Traditional Name: 4-[[4-(2-amino-2-keto-ethyl)-3-keto-1,4-benzoxazin-6-yl]amino]-4-keto-butyrate Formula: C14H14N3O6- MolecularWeight: 320.27746

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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(=O)N

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O6/c15-11(18)6-17-9-5-8(16-12(19)3-4-14(21)22)1-2-10(9)23-7-13(17)20/h1-2,5H,3-4,6-7H2,(H2,15,18)(H,16,19)(H,21,22)/p-1