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

Systemtic Name: methyl 3-nitro-5-[(1-phenylcyclopropyl)methylcarbamoyl]benzoate Openeye Name: methyl 3-nitro-5-[(1-phenylcyclopropyl)methylcarbamoyl]benzoate CAS Name: 3-nitro-5-[oxo-[(1-phenylcyclopropyl)methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-[(1-phenylcyclopropyl)methylcarbamoyl]benzoate Traditional Name: 3-nitro-5-[(1-phenylcyclopropyl)methylcarbamoyl]benzoic acid methyl ester Formula: C19H18N2O5 MolecularWeight: 354.35662

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)NCC2(CC2)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)NCC2(CC2)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N2O5/c1-26-18(23)14-9-13(10-16(11-14)21(24)25)17(22)20-12-19(7-8-19)15-5-3-2-4-6-15/h2-6,9-11H,7-8,12H2,1H3,(H,20,22)