methyl 2-chloranyl-3-methyl-5-nitro-benzoate

Systemtic Name: methyl 2-chloranyl-3-methyl-5-nitro-benzoate Openeye Name: methyl 2-chloro-3-methyl-5-nitro-benzoate CAS Name: 2-chloro-3-methyl-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-chloro-3-methyl-5-nitrobenzoate Traditional Name: 2-chloro-3-methyl-5-nitro-benzoic acid methyl ester Formula: C9H8ClNO4 MolecularWeight: 229.61712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H8ClNO4/c1-5-3-6(11(13)14)4-7(8(5)10)9(12)15-2/h3-4H,1-2H3