(E)-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxidanylidene-but-2-enoic acid

Systemtic Name: (E)-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxidanylidene-but-2-enoic acid Openeye Name: (E)-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxo-but-2-enoic acid CAS Name: (E)-4-[4-(4-nitrophenyl)-1-piperazinyl]-4-oxo-2-butenoic acid IUPAC Name: (E)-4-[4-(4-nitrophenyl)piperazin-1-yl]-4-oxobut-2-enoic acid Traditional Name: (E)-4-keto-4-[4-(4-nitrophenyl)piperazino]but-2-enoic acid Formula: C14H15N3O5 MolecularWeight: 305.286

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C=CC(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)/C=C/C(=O)O

InChI

InChI=1S/C14H15N3O5/c18-13(5-6-14(19)20)16-9-7-15(8-10-16)11-1-3-12(4-2-11)17(21)22/h1-6H,7-10H2,(H,19,20)/b6-5+