4-[2-[(E)-2-nitroethenyl]pyrrol-1-yl]benzoate

Systemtic Name: 4-[2-[(E)-2-nitroethenyl]pyrrol-1-yl]benzoate Openeye Name: 4-[2-[(E)-2-nitrovinyl]pyrrol-1-yl]benzoate CAS Name: 4-[2-[(E)-2-nitroethenyl]-1-pyrrolyl]benzoate IUPAC Name: 4-[2-[(E)-2-nitroethenyl]pyrrol-1-yl]benzoate Traditional Name: 4-[2-[(E)-2-nitrovinyl]pyrrol-1-yl]benzoate Formula: C13H9N2O4- MolecularWeight: 257.22156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(C(=C1)C=C[N+](=O)[O-])C2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

C1=CN(C(=C1)/C=C/[N+](=O)[O-])C2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C13H10N2O4/c16-13(17)10-3-5-12(6-4-10)14-8-1-2-11(14)7-9-15(18)19/h1-9H,(H,16,17)/p-1/b9-7+