N-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-methyl-5-nitro-pyridine-3-carboxamide

Systemtic Name: N-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-methyl-5-nitro-pyridine-3-carboxamide Openeye Name: N-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-methyl-5-nitro-pyridine-3-carboxamide CAS Name: N-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-methyl-5-nitro-3-pyridinecarboxamide IUPAC Name: N-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-methyl-5-nitropyridine-3-carboxamide Traditional Name: N-(2-tert-butyl-1,3-benzoxazol-5-yl)-2-methyl-5-nitro-nicotinamide Formula: C18H18N4O4 MolecularWeight: 354.35992

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1C(=O)NC2=CC3=C(C=C2)OC(=N3)C(C)(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC=C(C=C1C(=O)NC2=CC3=C(C=C2)OC(=N3)C(C)(C)C)[N+](=O)[O-]

InChI

InChI=1S/C18H18N4O4/c1-10-13(8-12(9-19-10)22(24)25)16(23)20-11-5-6-15-14(7-11)21-17(26-15)18(2,3)4/h5-9H,1-4H3,(H,20,23)