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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1[N+](=O)[O-])Cl)C(=O)OC

Isomeric SMILES

CCCC1=C(C=CC(=C1[N+](=O)[O-])Cl)C(=O)OC

InChI

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