(E)-but-2-enedioate; 4-(1-ethylpyrrolidin-3-yl)-1,4-benzoxazin-3-one

Systemtic Name: (E)-but-2-enedioate; 4-(1-ethylpyrrolidin-3-yl)-1,4-benzoxazin-3-one Openeye Name: (E)-but-2-enedioate; 4-(1-ethylpyrrolidin-3-yl)-1,4-benzoxazin-3-one CAS Name: (E)-2-butenedioate; 4-(1-ethyl-3-pyrrolidinyl)-1,4-benzoxazin-3-one IUPAC Name: (E)-but-2-enedioate; 4-(1-ethylpyrrolidin-3-yl)-1,4-benzoxazin-3-one Traditional Name: 4-(1-ethylpyrrolidin-3-yl)-1,4-benzoxazin-3-one fumarate Formula: C18H20N2O6-2 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(C1)N2C(=O)COC3=CC=CC=C32.C(=CC(=O)[O-])C(=O)[O-]

Isomeric SMILES

CCN1CCC(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)/p-2/b;2-1+