nitro 4-methylbenzoate

Systemtic Name: nitro 4-methylbenzoate Openeye Name: nitro 4-methylbenzoate CAS Name: 4-methylbenzoic acid nitro ester IUPAC Name: nitro 4-methylbenzoate Traditional Name: 4-methylbenzoic acid nitro ester Formula: C8H7NO4 MolecularWeight: 181.14548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)O[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)O[N+](=O)[O-]

InChI

InChI=1S/C8H7NO4/c1-6-2-4-7(5-3-6)8(10)13-9(11)12/h2-5H,1H3