methyl 3-(4-methoxyphenyl)carbonyl-5-nitro-benzoate

Systemtic Name: methyl 3-(4-methoxyphenyl)carbonyl-5-nitro-benzoate Openeye Name: methyl 3-(4-methoxybenzoyl)-5-nitro-benzoate CAS Name: 3-[(4-methoxyphenyl)-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-(4-methoxybenzoyl)-5-nitrobenzoate Traditional Name: 3-nitro-5-p-anisoyl-benzoic acid methyl ester Formula: C16H13NO6 MolecularWeight: 315.27752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13NO6/c1-22-14-5-3-10(4-6-14)15(18)11-7-12(16(19)23-2)9-13(8-11)17(20)21/h3-9H,1-2H3