dimethyl-(4-oxidanylidene-3-propyl-2H-1,3-benzoxazin-6-yl)azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: dimethyl-(4-oxidanylidene-3-propyl-2H-1,3-benzoxazin-6-yl)azanium; (Z)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: dimethyl-(4-oxo-3-propyl-2H-1,3-benzoxazin-6-yl)ammonium; (Z)-4-hydroxy-4-oxo-but-2-enoate CAS Name: dimethyl-(4-oxo-3-propyl-2H-1,3-benzoxazin-6-yl)ammonium; (Z)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: dimethyl-(4-oxo-3-propyl-2H-1,3-benzoxazin-6-yl)azanium; (Z)-4-hydroxy-4-oxobut-2-enoate Traditional Name: (Z)-4-hydroxy-4-keto-but-2-enoate; (4-keto-3-propyl-2H-1,3-benzoxazin-6-yl)-dimethyl-ammonium Formula: C17H22N2O6 MolecularWeight: 350.36638

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1COC2=C(C1=O)C=C(C=C2)[NH+](C)C.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CCCN1COC2=C(C1=O)C=C(C=C2)[NH+](C)C.C(=C\C(=O)[O-])\C(=O)O

InChI

InChI=1S/C13H18N2O2.C4H4O4/c1-4-7-15-9-17-12-6-5-10(14(2)3)8-11(12)13(15)16;5-3(6)1-2-4(7)8/h5-6,8H,4,7,9H2,1-3H3;1-2H,(H,5,6)(H,7,8)/b;2-1-