methyl 3-nitro-5-[(1-phenylcyclobutyl)methylcarbamoyl]benzoate

Systemtic Name: methyl 3-nitro-5-[(1-phenylcyclobutyl)methylcarbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[(1-phenylcyclobutyl)methylcarbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[(1-phenylcyclobutyl)methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[(1-phenylcyclobutyl)methylcarbamoyl]benzoate Traditional Name: 3-nitro-5-[(1-phenylcyclobutyl)methylcarbamoyl]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)NCC2(CCC2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCC2(CCC2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

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