3-[[2-chloranyl-6-methoxy-4-[(E)-2-nitroethenyl]phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[2-chloranyl-6-methoxy-4-[(E)-2-nitroethenyl]phenoxy]methyl]benzoic acid Openeye Name: 3-[[2-chloro-6-methoxy-4-[(E)-2-nitrovinyl]phenoxy]methyl]benzoic acid CAS Name: 3-[[2-chloro-6-methoxy-4-[(E)-2-nitroethenyl]phenoxy]methyl]benzoic acid IUPAC Name: 3-[[2-chloro-6-methoxy-4-[(E)-2-nitroethenyl]phenoxy]methyl]benzoic acid Traditional Name: 3-[[2-chloro-6-methoxy-4-[(E)-2-nitrovinyl]phenoxy]methyl]benzoic acid Formula: C17H14ClNO6 MolecularWeight: 363.74916

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C[N+](=O)[O-])Cl)OCC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/[N+](=O)[O-])Cl)OCC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C17H14ClNO6/c1-24-15-9-11(5-6-19(22)23)8-14(18)16(15)25-10-12-3-2-4-13(7-12)17(20)21/h2-9H,10H2,1H3,(H,20,21)/b6-5+