methyl 3-[1-(3-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[1-(3-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-nitro-5-(1-norbornan-2-ylethylcarbamoyl)benzoate CAS Name: 3-[[1-(3-bicyclo[2.2.1]heptanyl)ethylamino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[1-(3-bicyclo[2.2.1]heptanyl)ethylcarbamoyl]-5-nitrobenzoate Traditional Name: 3-nitro-5-[1-(2-norbornyl)ethylcarbamoyl]benzoic acid methyl ester Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC2CCC1C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C1CC2CCC1C2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C18H22N2O5/c1-10(16-6-11-3-4-12(16)5-11)19-17(21)13-7-14(18(22)25-2)9-15(8-13)20(23)24/h7-12,16H,3-6H2,1-2H3,(H,19,21)