3-methyl-4-[5-[(E)-2-nitroethenyl]furan-2-yl]benzoic acid

Systemtic Name: 3-methyl-4-[5-[(E)-2-nitroethenyl]furan-2-yl]benzoic acid Openeye Name: 3-methyl-4-[5-[(E)-2-nitrovinyl]-2-furyl]benzoic acid CAS Name: 3-methyl-4-[5-[(E)-2-nitroethenyl]-2-furanyl]benzoic acid IUPAC Name: 3-methyl-4-[5-[(E)-2-nitroethenyl]furan-2-yl]benzoic acid Traditional Name: 3-methyl-4-[5-[(E)-2-nitrovinyl]-2-furyl]benzoic acid Formula: C14H11NO5 MolecularWeight: 273.24084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)C=C[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)O)C2=CC=C(O2)/C=C/[N+](=O)[O-]

InChI

InChI=1S/C14H11NO5/c1-9-8-10(14(16)17)2-4-12(9)13-5-3-11(20-13)6-7-15(18)19/h2-8H,1H3,(H,16,17)/b7-6+