3-[2-[(E)-2-nitroethenyl]pyrrol-1-yl]benzoate

Systemtic Name: 3-[2-[(E)-2-nitroethenyl]pyrrol-1-yl]benzoate Openeye Name: 3-[2-[(E)-2-nitrovinyl]pyrrol-1-yl]benzoate CAS Name: 3-[2-[(E)-2-nitroethenyl]-1-pyrrolyl]benzoate IUPAC Name: 3-[2-[(E)-2-nitroethenyl]pyrrol-1-yl]benzoate Traditional Name: 3-[2-[(E)-2-nitrovinyl]pyrrol-1-yl]benzoate Formula: C13H9N2O4- MolecularWeight: 257.22156

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N2C=CC=C2C=C[N+](=O)[O-])C(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)N2C=CC=C2/C=C/[N+](=O)[O-])C(=O)[O-]

InChI

InChI=1S/C13H10N2O4/c16-13(17)10-3-1-4-12(9-10)14-7-2-5-11(14)6-8-15(18)19/h1-9H,(H,16,17)/p-1/b8-6+