(Z)-but-2-enedioate; (4-oxidanylidene-3-propyl-2,3-dihydro-1,3-benzoxazin-3-ium-6-yl)azanium

Systemtic Name: (Z)-but-2-enedioate; (4-oxidanylidene-3-propyl-2,3-dihydro-1,3-benzoxazin-3-ium-6-yl)azanium Openeye Name: (Z)-but-2-enedioate; (4-oxo-3-propyl-2,3-dihydro-1,3-benzoxazin-3-ium-6-yl)ammonium CAS Name: (Z)-2-butenedioate; (4-oxo-3-propyl-2,3-dihydro-1,3-benzoxazin-3-ium-6-yl)ammonium IUPAC Name: (Z)-but-2-enedioate; (4-oxo-3-propyl-2,3-dihydro-1,3-benzoxazin-3-ium-6-yl)azanium Traditional Name: (4-keto-3-propyl-2,3-dihydro-1,3-benzoxazin-3-ium-6-yl)ammonium maleate Formula: C15H18N2O6 MolecularWeight: 322.31322

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Descriptors Computed from Structure

Canonical SMILES:

CCC[NH+]1COC2=C(C1=O)C=C(C=C2)[NH3+].C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCC[NH+]1COC2=C(C1=O)C=C(C=C2)[NH3+].C(=C\C(=O)[O-])\C(=O)[O-]

InChI

InChI=1S/C11H14N2O2.C4H4O4/c1-2-5-13-7-15-10-4-3-8(12)6-9(10)11(13)14;5-3(6)1-2-4(7)8/h3-4,6H,2,5,7,12H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1-