N-[2-[(2,3-dimethoxyphenyl)methyl]-1H-pyrazol-2-ium-3-yl]-3-methyl-4-nitro-benzamide

Systemtic Name: N-[2-[(2,3-dimethoxyphenyl)methyl]-1H-pyrazol-2-ium-3-yl]-3-methyl-4-nitro-benzamide Openeye Name: N-[2-[(2,3-dimethoxyphenyl)methyl]-1H-pyrazol-2-ium-3-yl]-3-methyl-4-nitro-benzamide CAS Name: N-[2-[(2,3-dimethoxyphenyl)methyl]-1H-pyrazol-2-ium-3-yl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[2-[(2,3-dimethoxyphenyl)methyl]-1H-pyrazol-2-ium-3-yl]-3-methyl-4-nitrobenzamide Traditional Name: 3-methyl-4-nitro-N-(2-o-veratryl-1H-pyrazol-2-ium-3-yl)benzamide Formula: C20H21N4O5+ MolecularWeight: 397.40454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=[N+](NC=C2)CC3=C(C(=CC=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=[N+](NC=C2)CC3=C(C(=CC=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O5/c1-13-11-14(7-8-16(13)24(26)27)20(25)22-18-9-10-21-23(18)12-15-5-4-6-17(28-2)19(15)29-3/h4-11H,12H2,1-3H3,(H,21,22,25)/p+1