(E)-but-2-enedioic acid; 6-nitro-2-piperazin-1-yl-quinoline

Systemtic Name: (E)-but-2-enedioic acid; 6-nitro-2-piperazin-1-yl-quinoline Openeye Name: fumaric acid; 6-nitro-2-piperazin-1-yl-quinoline CAS Name: (E)-2-butenedioic acid; 6-nitro-2-(1-piperazinyl)quinoline IUPAC Name: (E)-but-2-enedioic acid; 6-nitro-2-piperazin-1-ylquinoline Traditional Name: fumaric acid; 6-nitro-2-piperazino-quinoline Formula: C17H18N4O6 MolecularWeight: 374.34802

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=NC3=C(C=C2)C=C(C=C3)[N+](=O)[O-].C(=CC(=O)O)C(=O)O

Isomeric SMILES

C1CN(CCN1)C2=NC3=C(C=C2)C=C(C=C3)[N+](=O)[O-].C(=C/C(=O)O)\C(=O)O

InChI

InChI=1S/C13H14N4O2.C4H4O4/c18-17(19)11-2-3-12-10(9-11)1-4-13(15-12)16-7-5-14-6-8-16;5-3(6)1-2-4(7)8/h1-4,9,14H,5-8H2;1-2H,(H,5,6)(H,7,8)/b;2-1+