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

Systemtic Name: methyl 3-(3-cyanophenyl)-4-nitro-butanoate Openeye Name: methyl 3-(3-cyanophenyl)-4-nitro-butanoate CAS Name: 3-(3-cyanophenyl)-4-nitrobutanoic acid methyl ester IUPAC Name: methyl 3-(3-cyanophenyl)-4-nitrobutanoate Traditional Name: 3-(3-cyanophenyl)-4-nitro-butyric acid methyl ester Formula: C12H12N2O4 MolecularWeight: 248.23468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N2O4/c1-18-12(15)6-11(8-14(16)17)10-4-2-3-9(5-10)7-13/h2-5,11H,6,8H2,1H3