methyl 4-chloranyl-2-ethyl-5-nitro-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1C(=O)OC)[N+](=O)[O-])Cl

Isomeric SMILES

CCC1=CC(=C(C=C1C(=O)OC)[N+](=O)[O-])Cl

InChI

InChI=1S/C10H10ClNO4/c1-3-6-4-8(11)9(12(14)15)5-7(6)10(13)16-2/h4-5H,3H2,1-2H3