N-(3,4-dimethoxyphenyl)-3-nitro-4-pyrazol-1-yl-benzamide

Systemtic Name: N-(3,4-dimethoxyphenyl)-3-nitro-4-pyrazol-1-yl-benzamide Openeye Name: N-(3,4-dimethoxyphenyl)-3-nitro-4-pyrazol-1-yl-benzamide CAS Name: N-(3,4-dimethoxyphenyl)-3-nitro-4-(1-pyrazolyl)benzamide IUPAC Name: N-(3,4-dimethoxyphenyl)-3-nitro-4-pyrazol-1-ylbenzamide Traditional Name: N-(3,4-dimethoxyphenyl)-3-nitro-4-pyrazol-1-yl-benzamide Formula: C18H16N4O5 MolecularWeight: 368.34344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3C=CC=N3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C2=CC(=C(C=C2)N3C=CC=N3)[N+](=O)[O-])OC

InChI

InChI=1S/C18H16N4O5/c1-26-16-7-5-13(11-17(16)27-2)20-18(23)12-4-6-14(15(10-12)22(24)25)21-9-3-8-19-21/h3-11H,1-2H3,(H,20,23)