3-[2,5-dimethyl-3-[(E)-2-nitroethenyl]pyrrol-1-yl]benzoic acid

Systemtic Name: 3-[2,5-dimethyl-3-[(E)-2-nitroethenyl]pyrrol-1-yl]benzoic acid Openeye Name: 3-[2,5-dimethyl-3-[(E)-2-nitrovinyl]pyrrol-1-yl]benzoic acid CAS Name: 3-[2,5-dimethyl-3-[(E)-2-nitroethenyl]-1-pyrrolyl]benzoic acid IUPAC Name: 3-[2,5-dimethyl-3-[(E)-2-nitroethenyl]pyrrol-1-yl]benzoic acid Traditional Name: 3-[2,5-dimethyl-3-[(E)-2-nitrovinyl]pyrrol-1-yl]benzoic acid Formula: C15H14N2O4 MolecularWeight: 286.28266

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)C=C[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)/C=C/[N+](=O)[O-]

InChI

InChI=1S/C15H14N2O4/c1-10-8-12(6-7-16(20)21)11(2)17(10)14-5-3-4-13(9-14)15(18)19/h3-9H,1-2H3,(H,18,19)/b7-6+