N-[2-[(2,3-dimethoxyphenyl)methyl]-1H-pyrazol-2-ium-3-yl]-3-nitro-benzamide

Systemtic Name: N-[2-[(2,3-dimethoxyphenyl)methyl]-1H-pyrazol-2-ium-3-yl]-3-nitro-benzamide Openeye Name: N-[2-[(2,3-dimethoxyphenyl)methyl]-1H-pyrazol-2-ium-3-yl]-3-nitro-benzamide CAS Name: N-[2-[(2,3-dimethoxyphenyl)methyl]-1H-pyrazol-2-ium-3-yl]-3-nitrobenzamide IUPAC Name: N-[2-[(2,3-dimethoxyphenyl)methyl]-1H-pyrazol-2-ium-3-yl]-3-nitrobenzamide Traditional Name: 3-nitro-N-(2-o-veratryl-1H-pyrazol-2-ium-3-yl)benzamide Formula: C19H19N4O5+ MolecularWeight: 383.37796

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C[N+]2=C(C=CN2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=CC(=C1OC)C[N+]2=C(C=CN2)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O5/c1-27-16-8-4-6-14(18(16)28-2)12-22-17(9-10-20-22)21-19(24)13-5-3-7-15(11-13)23(25)26/h3-11H,12H2,1-2H3,(H,20,21,24)/p+1