3-cyano-2-methoxy-5-nitro-benzoic acid

Systemtic Name: 3-cyano-2-methoxy-5-nitro-benzoic acid Openeye Name: 3-cyano-2-methoxy-5-nitro-benzoic acid CAS Name: 3-cyano-2-methoxy-5-nitrobenzoic acid IUPAC Name: 3-cyano-2-methoxy-5-nitrobenzoic acid Traditional Name: 3-cyano-2-methoxy-5-nitro-benzoic acid Formula: C9H6N2O5 MolecularWeight: 222.15434

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C#N)[N+](=O)[O-])C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1C#N)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C9H6N2O5/c1-16-8-5(4-10)2-6(11(14)15)3-7(8)9(12)13/h2-3H,1H3,(H,12,13)