methyl 3-nitrobenzoate

Systemtic Name: methyl 3-nitrobenzoate Openeye Name: methyl 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid methyl ester Formula: C8H7NO4 MolecularWeight: 181.14548

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)[N+](=O)[O-]

InChI

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