4-(1-ethylpyrrolidin-1-ium-3-yl)-1,4-benzoxazin-3-one; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate

Systemtic Name: 4-(1-ethylpyrrolidin-1-ium-3-yl)-1,4-benzoxazin-3-one; (E)-4-oxidanyl-4-oxidanylidene-but-2-enoate Openeye Name: 4-(1-ethylpyrrolidin-1-ium-3-yl)-1,4-benzoxazin-3-one; (E)-4-hydroxy-4-oxo-but-2-enoate CAS Name: 4-(1-ethyl-3-pyrrolidin-1-iumyl)-1,4-benzoxazin-3-one; (E)-4-hydroxy-4-oxo-2-butenoate IUPAC Name: 4-(1-ethylpyrrolidin-1-ium-3-yl)-1,4-benzoxazin-3-one; (E)-4-hydroxy-4-oxobut-2-enoate Traditional Name: 4-(1-ethylpyrrolidin-1-ium-3-yl)-1,4-benzoxazin-3-one; (E)-4-hydroxy-4-keto-but-2-enoate Formula: C18H22N2O6 MolecularWeight: 362.37708

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCC(C1)N2C(=O)COC3=CC=CC=C32.C(=CC(=O)[O-])C(=O)O

Isomeric SMILES

CC[NH+]1CCC(C1)N2C(=O)COC3=CC=CC=C32.C(=C/C(=O)[O-])\C(=O)O

InChI

InChI=1S/C14H18N2O2.C4H4O4/c1-2-15-8-7-11(9-15)16-12-5-3-4-6-13(12)18-10-14(16)17;5-3(6)1-2-4(7)8/h3-6,11H,2,7-10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+