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

Systemtic Name: 4-[(4-ethyl-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-7-yl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(4-ethyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-7-yl)amino]-4-oxo-butanoic acid CAS Name: 4-[(4-ethyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-7-yl)amino]-4-oxobutanoic acid IUPAC Name: 4-[(4-ethyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-7-yl)amino]-4-oxobutanoic acid Traditional Name: 4-[(4-ethyl-3-keto-2,2-dimethyl-1,4-benzoxazin-7-yl)amino]-4-keto-butyric acid Formula: C16H20N2O5 MolecularWeight: 320.3404

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)NC(=O)CCC(=O)O)OC(C1=O)(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)NC(=O)CCC(=O)O)OC(C1=O)(C)C

InChI

InChI=1S/C16H20N2O5/c1-4-18-11-6-5-10(17-13(19)7-8-14(20)21)9-12(11)23-16(2,3)15(18)22/h5-6,9H,4,7-8H2,1-3H3,(H,17,19)(H,20,21)