4-[(2,6-ditert-butylpyridin-4-yl)carbamoyl]-2-nitro-benzoic acid

Systemtic Name: 4-[(2,6-ditert-butylpyridin-4-yl)carbamoyl]-2-nitro-benzoic acid Openeye Name: 4-[(2,6-ditert-butyl-4-pyridyl)carbamoyl]-2-nitro-benzoic acid CAS Name: 4-[[(2,6-ditert-butyl-4-pyridinyl)amino]-oxomethyl]-2-nitrobenzoic acid IUPAC Name: 4-[(2,6-ditert-butylpyridin-4-yl)carbamoyl]-2-nitrobenzoic acid Traditional Name: 4-[(2,6-ditert-butyl-4-pyridyl)carbamoyl]-2-nitro-benzoic acid Formula: C21H25N3O5 MolecularWeight: 399.4403

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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)O)[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)O)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5/c1-20(2,3)16-10-13(11-17(23-16)21(4,5)6)22-18(25)12-7-8-14(19(26)27)15(9-12)24(28)29/h7-11H,1-6H3,(H,26,27)(H,22,23,25)