N-[[3-(3-nitrophenyl)-1-phenyl-pyrazol-1-ium-4-ylidene]methyl]-1-[(2R)-oxolan-2-yl]methanamine

Systemtic Name: N-[[3-(3-nitrophenyl)-1-phenyl-pyrazol-1-ium-4-ylidene]methyl]-1-[(2R)-oxolan-2-yl]methanamine Openeye Name: N-[[3-(3-nitrophenyl)-1-phenyl-pyrazol-1-ium-4-ylidene]methyl]-1-[(2R)-tetrahydrofuran-2-yl]methanamine CAS Name: N-[[3-(3-nitrophenyl)-1-phenyl-4-pyrazol-1-iumylidene]methyl]-1-[(2R)-2-oxolanyl]methanamine IUPAC Name: N-[[3-(3-nitrophenyl)-1-phenylpyrazol-1-ium-4-ylidene]methyl]-1-[(2R)-oxolan-2-yl]methanamine Traditional Name: [3-(3-nitrophenyl)-1-phenyl-pyrazol-1-ium-4-ylidene]methyl-[[(2R)-tetrahydrofuran-2-yl]methyl]amine Formula: C21H21N4O3+ MolecularWeight: 377.41644

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC=C2C=[N+](N=C2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H](OC1)CNC=C2C=[N+](N=C2C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O3/c26-25(27)19-9-4-6-16(12-19)21-17(13-22-14-20-10-5-11-28-20)15-24(23-21)18-7-2-1-3-8-18/h1-4,6-9,12-13,15,20H,5,10-11,14H2/p+1/t20-/m1/s1