4-(1H-pyrazol-5-yl)-N-[(2,4,6,7-tetramethyl-5-nitro-3H-1-benzofuran-2-yl)methyl]aniline

Systemtic Name: 4-(1H-pyrazol-5-yl)-N-[(2,4,6,7-tetramethyl-5-nitro-3H-1-benzofuran-2-yl)methyl]aniline Openeye Name: 4-(1H-pyrazol-5-yl)-N-[(2,4,6,7-tetramethyl-5-nitro-3H-benzofuran-2-yl)methyl]aniline CAS Name: 4-(1H-pyrazol-5-yl)-N-[(2,4,6,7-tetramethyl-5-nitro-3H-benzofuran-2-yl)methyl]aniline IUPAC Name: 4-(1H-pyrazol-5-yl)-N-[(2,4,6,7-tetramethyl-5-nitro-3H-1-benzofuran-2-yl)methyl]aniline Traditional Name: [4-(1H-pyrazol-5-yl)phenyl]-[(2,4,6,7-tetramethyl-5-nitro-coumaran-2-yl)methyl]amine Formula: C22H24N4O3 MolecularWeight: 392.45096

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C2CC(OC2=C1C)(C)CNC3=CC=C(C=C3)C4=CC=NN4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=C2CC(OC2=C1C)(C)CNC3=CC=C(C=C3)C4=CC=NN4)C)[N+](=O)[O-]

InChI

InChI=1S/C22H24N4O3/c1-13-14(2)21-18(15(3)20(13)26(27)28)11-22(4,29-21)12-23-17-7-5-16(6-8-17)19-9-10-24-25-19/h5-10,23H,11-12H2,1-4H3,(H,24,25)