N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-ethoxy-5-methoxy-2-nitro-benzamide

Systemtic Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-ethoxy-5-methoxy-2-nitro-benzamide Openeye Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-ethoxy-5-methoxy-2-nitro-benzamide CAS Name: N-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-4-ethoxy-5-methoxy-2-nitrobenzamide IUPAC Name: N-(3,5-dimethyl-1-phenylpyrazol-4-yl)-4-ethoxy-5-methoxy-2-nitrobenzamide Traditional Name: N-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-4-ethoxy-5-methoxy-2-nitro-benzamide Formula: C21H22N4O5 MolecularWeight: 410.42318

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C)OC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NC2=C(N(N=C2C)C3=CC=CC=C3)C)OC

InChI

InChI=1S/C21H22N4O5/c1-5-30-19-12-17(25(27)28)16(11-18(19)29-4)21(26)22-20-13(2)23-24(14(20)3)15-9-7-6-8-10-15/h6-12H,5H2,1-4H3,(H,22,26)