N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-3-nitro-1H-pyrazole-5-carboxamide

Systemtic Name: N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-3-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[1-[(2,4-dimethylphenoxy)methyl]-4-pyrazolyl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-3-nitro-1H-pyrazole-5-carboxamide Formula: C16H16N6O4 MolecularWeight: 356.33604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCN2C=C(C=N2)NC(=O)C3=CC(=NN3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C=C1)OCN2C=C(C=N2)NC(=O)C3=CC(=NN3)[N+](=O)[O-])C

InChI

InChI=1S/C16H16N6O4/c1-10-3-4-14(11(2)5-10)26-9-21-8-12(7-17-21)18-16(23)13-6-15(20-19-13)22(24)25/h3-8H,9H2,1-2H3,(H,18,23)(H,19,20)