methyl 3-nitro-5-(phenethylcarbamoyl)benzoate

Systemtic Name: methyl 3-nitro-5-(phenethylcarbamoyl)benzoate Openeye Name: methyl 3-nitro-5-(phenethylcarbamoyl)benzoate CAS Name: 3-nitro-5-[oxo-(phenethylamino)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-(phenethylcarbamoyl)benzoate Traditional Name: 3-nitro-5-(phenethylcarbamoyl)benzoic acid methyl ester Formula: C17H16N2O5 MolecularWeight: 328.31934

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NCCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H16N2O5/c1-24-17(21)14-9-13(10-15(11-14)19(22)23)16(20)18-8-7-12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3,(H,18,20)