methyl 3-(3-methoxyphenyl)-4-nitro-butanoate

Systemtic Name: methyl 3-(3-methoxyphenyl)-4-nitro-butanoate Openeye Name: methyl 3-(3-methoxyphenyl)-4-nitro-butanoate CAS Name: 3-(3-methoxyphenyl)-4-nitrobutanoic acid methyl ester IUPAC Name: methyl 3-(3-methoxyphenyl)-4-nitrobutanoate Traditional Name: 3-(3-methoxyphenyl)-4-nitro-butyric acid methyl ester Formula: C12H15NO5 MolecularWeight: 253.2512

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CC(=O)OC)C[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1)C(CC(=O)OC)C[N+](=O)[O-]

InChI

InChI=1S/C12H15NO5/c1-17-11-5-3-4-9(6-11)10(8-13(15)16)7-12(14)18-2/h3-6,10H,7-8H2,1-2H3