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

Systemtic Name: N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Openeye Name: N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide CAS Name: N-[1-[(2,4-dimethylphenoxy)methyl]-4-pyrazolyl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide IUPAC Name: N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Traditional Name: N-[1-[(2,4-dimethylphenoxy)methyl]pyrazol-4-yl]-3-methoxy-4-nitro-1H-pyrazole-5-carboxamide Formula: C17H18N6O5 MolecularWeight: 386.36202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N6O5/c1-10-4-5-13(11(2)6-10)28-9-22-8-12(7-18-22)19-16(24)14-15(23(25)26)17(27-3)21-20-14/h4-8H,9H2,1-3H3,(H,19,24)(H,20,21)