methyl 4-chloranyl-2,5-dimethyl-3-nitro-benzoate

Systemtic Name: methyl 4-chloranyl-2,5-dimethyl-3-nitro-benzoate Openeye Name: methyl 4-chloro-2,5-dimethyl-3-nitro-benzoate CAS Name: 4-chloro-2,5-dimethyl-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-chloro-2,5-dimethyl-3-nitrobenzoate Traditional Name: 4-chloro-2,5-dimethyl-3-nitro-benzoic acid methyl ester Formula: C10H10ClNO4 MolecularWeight: 243.6437

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H10ClNO4/c1-5-4-7(10(13)16-3)6(2)9(8(5)11)12(14)15/h4H,1-3H3