propyl 2-methyl-3-nitro-benzoate

Systemtic Name: propyl 2-methyl-3-nitro-benzoate Openeye Name: propyl 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid propyl ester IUPAC Name: propyl 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-nitro-benzoic acid propyl ester Formula: C11H13NO4 MolecularWeight: 223.22522

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO4/c1-3-7-16-11(13)9-5-4-6-10(8(9)2)12(14)15/h4-6H,3,7H2,1-2H3