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

Systemtic Name: propyl 4-chloranyl-2-methyl-5-nitro-benzoate Openeye Name: propyl 4-chloro-2-methyl-5-nitro-benzoate CAS Name: 4-chloro-2-methyl-5-nitrobenzoic acid propyl ester IUPAC Name: propyl 4-chloro-2-methyl-5-nitrobenzoate Traditional Name: 4-chloro-2-methyl-5-nitro-benzoic acid propyl ester Formula: C11H12ClNO4 MolecularWeight: 257.67028

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC(=C(C=C1C)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCOC(=O)C1=CC(=C(C=C1C)Cl)[N+](=O)[O-]

InChI

InChI=1S/C11H12ClNO4/c1-3-4-17-11(14)8-6-10(13(15)16)9(12)5-7(8)2/h5-6H,3-4H2,1-2H3