methyl 3-nitro-5-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoyl)benzoate

Systemtic Name: methyl 3-nitro-5-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoyl)benzoate Openeye Name: methyl 3-nitro-5-(tetralin-1-ylmethylcarbamoyl)benzoate CAS Name: 3-nitro-5-[oxo-(1,2,3,4-tetrahydronaphthalen-1-ylmethylamino)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-(1,2,3,4-tetrahydronaphthalen-1-ylmethylcarbamoyl)benzoate Traditional Name: 3-nitro-5-(tetralin-1-ylmethylcarbamoyl)benzoic acid methyl ester Formula: C20H20N2O5 MolecularWeight: 368.3832

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NCC2CCCC3=CC=CC=C23)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCC2CCCC3=CC=CC=C23)[N+](=O)[O-]

InChI

InChI=1S/C20H20N2O5/c1-27-20(24)16-9-15(10-17(11-16)22(25)26)19(23)21-12-14-7-4-6-13-5-2-3-8-18(13)14/h2-3,5,8-11,14H,4,6-7,12H2,1H3,(H,21,23)