3-azanyl-8-piperazin-1-yl-chromen-2-one; (E)-but-2-enedioic acid

Systemtic Name: 3-azanyl-8-piperazin-1-yl-chromen-2-one; (E)-but-2-enedioic acid Openeye Name: 3-amino-8-piperazin-1-yl-chromen-2-one; fumaric acid CAS Name: 3-amino-8-(1-piperazinyl)-1-benzopyran-2-one; (E)-2-butenedioic acid IUPAC Name: 3-amino-8-piperazin-1-ylchromen-2-one; (E)-but-2-enedioic acid Traditional Name: 3-amino-8-piperazino-coumarin; fumaric acid Formula: C17H19N3O6 MolecularWeight: 361.34926

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=CC3=C2OC(=O)C(=C3)N.C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1)C2=CC=CC3=C2OC(=O)C(=C3)N.C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H15N3O2.C4H4O4/c14-10-8-9-2-1-3-11(12(9)18-13(10)17)16-6-4-15-5-7-16;5-3(6)1-2-4(7)8/h1-3,8,15H,4-7,14H2;1-2H,(H,5,6)(H,7,8)/b;2-1+