methyl 3-[(4-methoxyphenyl)methyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[(4-methoxyphenyl)methyl]-5-nitro-benzoate Openeye Name: methyl 3-[(4-methoxyphenyl)methyl]-5-nitro-benzoate CAS Name: 3-[(4-methoxyphenyl)methyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[(4-methoxyphenyl)methyl]-5-nitrobenzoate Traditional Name: 3-nitro-5-p-anisyl-benzoic acid methyl ester Formula: C16H15NO5 MolecularWeight: 301.294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)CC2=CC(=CC(=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C16H15NO5/c1-21-15-5-3-11(4-6-15)7-12-8-13(16(18)22-2)10-14(9-12)17(19)20/h3-6,8-10H,7H2,1-2H3