methyl 4-chloranyl-2-ethyl-3-nitro-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1[N+](=O)[O-])Cl)C(=O)OC

Isomeric SMILES

CCC1=C(C=CC(=C1[N+](=O)[O-])Cl)C(=O)OC

InChI

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