4-[[4-(2-azanyl-2-oxidanylidene-ethyl)-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-7-yl]amino]-4-oxidanylidene-butanoate

Systemtic Name: 4-[[4-(2-azanyl-2-oxidanylidene-ethyl)-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-7-yl]amino]-4-oxidanylidene-butanoate Openeye Name: 4-[[4-(2-amino-2-oxo-ethyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-7-yl]amino]-4-oxo-butanoate CAS Name: 4-[[4-(2-amino-2-oxoethyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-7-yl]amino]-4-oxobutanoate IUPAC Name: 4-[[4-(2-amino-2-oxoethyl)-2,2-dimethyl-3-oxo-1,4-benzoxazin-7-yl]amino]-4-oxobutanoate Traditional Name: 4-[[4-(2-amino-2-keto-ethyl)-3-keto-2,2-dimethyl-1,4-benzoxazin-7-yl]amino]-4-keto-butyrate Formula: C16H18N3O6- MolecularWeight: 348.33062

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)N(C2=C(O1)C=C(C=C2)NC(=O)CCC(=O)[O-])CC(=O)N)C

Isomeric SMILES

CC1(C(=O)N(C2=C(O1)C=C(C=C2)NC(=O)CCC(=O)[O-])CC(=O)N)C

InChI

InChI=1S/C16H19N3O6/c1-16(2)15(24)19(8-12(17)20)10-4-3-9(7-11(10)25-16)18-13(21)5-6-14(22)23/h3-4,7H,5-6,8H2,1-2H3,(H2,17,20)(H,18,21)(H,22,23)/p-1