methyl 4-[(2,6-ditert-butylpyridin-4-yl)carbamoyl]-2-nitro-benzoate

Systemtic Name: methyl 4-[(2,6-ditert-butylpyridin-4-yl)carbamoyl]-2-nitro-benzoate Openeye Name: methyl 4-[(2,6-ditert-butyl-4-pyridyl)carbamoyl]-2-nitro-benzoate CAS Name: 4-[[(2,6-ditert-butyl-4-pyridinyl)amino]-oxomethyl]-2-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(2,6-ditert-butylpyridin-4-yl)carbamoyl]-2-nitrobenzoate Traditional Name: 4-[(2,6-ditert-butyl-4-pyridyl)carbamoyl]-2-nitro-benzoic acid methyl ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=N1)C(C)(C)C)NC(=O)C2=CC(=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=N1)C(C)(C)C)NC(=O)C2=CC(=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O5/c1-21(2,3)17-11-14(12-18(24-17)22(4,5)6)23-19(26)13-8-9-15(20(27)30-7)16(10-13)25(28)29/h8-12H,1-7H3,(H,23,24,26)