methyl 3-[cyclohexyl(pyridin-2-yl)carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[cyclohexyl(pyridin-2-yl)carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[cyclohexyl(2-pyridyl)carbamoyl]-5-nitro-benzoate CAS Name: 3-[[cyclohexyl(2-pyridinyl)amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[cyclohexyl(pyridin-2-yl)carbamoyl]-5-nitrobenzoate Traditional Name: 3-[cyclohexyl(2-pyridyl)carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C(=O)N(C2CCCCC2)C3=CC=CC=N3)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C(=O)N(C2CCCCC2)C3=CC=CC=N3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5/c1-28-20(25)15-11-14(12-17(13-15)23(26)27)19(24)22(16-7-3-2-4-8-16)18-9-5-6-10-21-18/h5-6,9-13,16H,2-4,7-8H2,1H3