(E)-3-[5-nitro-2-(3-oxidanylidenepiperazin-1-yl)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[5-nitro-2-(3-oxidanylidenepiperazin-1-yl)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[5-nitro-2-(3-oxopiperazin-1-yl)phenyl]prop-2-enoic acid CAS Name: (E)-3-[5-nitro-2-(3-oxo-1-piperazinyl)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[5-nitro-2-(3-oxopiperazin-1-yl)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[2-(3-ketopiperazino)-5-nitro-phenyl]acrylic acid Formula: C13H13N3O5 MolecularWeight: 291.25942

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(=O)N1)C2=C(C=C(C=C2)[N+](=O)[O-])C=CC(=O)O

Isomeric SMILES

C1CN(CC(=O)N1)C2=C(C=C(C=C2)[N+](=O)[O-])/C=C/C(=O)O

InChI

InChI=1S/C13H13N3O5/c17-12-8-15(6-5-14-12)11-3-2-10(16(20)21)7-9(11)1-4-13(18)19/h1-4,7H,5-6,8H2,(H,14,17)(H,18,19)/b4-1+