6-methanoyl-3,4-dimethyl-2-nitro-phenolate

Systemtic Name: 6-methanoyl-3,4-dimethyl-2-nitro-phenolate Openeye Name: 6-formyl-3,4-dimethyl-2-nitro-phenolate CAS Name: 6-formyl-3,4-dimethyl-2-nitrophenolate IUPAC Name: 6-formyl-3,4-dimethyl-2-nitrophenolate Traditional Name: 6-formyl-3,4-dimethyl-2-nitro-phenolate Formula: C9H8NO4- MolecularWeight: 194.16412

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H9NO4/c1-5-3-7(4-11)9(12)8(6(5)2)10(13)14/h3-4,12H,1-2H3/p-1