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

Systemtic Name: propyl 4-chloranyl-2-methyl-3-nitro-benzoate Openeye Name: propyl 4-chloro-2-methyl-3-nitro-benzoate CAS Name: 4-chloro-2-methyl-3-nitrobenzoic acid propyl ester IUPAC Name: propyl 4-chloro-2-methyl-3-nitrobenzoate Traditional Name: 4-chloro-2-methyl-3-nitro-benzoic acid propyl ester Formula: C11H12ClNO4 MolecularWeight: 257.67028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H12ClNO4/c1-3-6-17-11(14)8-4-5-9(12)10(7(8)2)13(15)16/h4-5H,3,6H2,1-2H3