methyl 3,5-dimethyl-4-nitro-benzoate

Systemtic Name: methyl 3,5-dimethyl-4-nitro-benzoate Openeye Name: methyl 3,5-dimethyl-4-nitro-benzoate CAS Name: 3,5-dimethyl-4-nitrobenzoic acid methyl ester IUPAC Name: methyl 3,5-dimethyl-4-nitrobenzoate Traditional Name: 3,5-dimethyl-4-nitro-benzoic acid methyl ester Formula: C10H11NO4 MolecularWeight: 209.19864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H11NO4/c1-6-4-8(10(12)15-3)5-7(2)9(6)11(13)14/h4-5H,1-3H3