N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-1,5-dimethyl-4-nitro-pyrazole-3-carboxamide

Systemtic Name: N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-1,5-dimethyl-4-nitro-pyrazole-3-carboxamide Openeye Name: N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-1,5-dimethyl-4-nitro-pyrazole-3-carboxamide CAS Name: N-[1-[(4-ethylphenoxy)methyl]-4-pyrazolyl]-1,5-dimethyl-4-nitro-3-pyrazolecarboxamide IUPAC Name: N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-1,5-dimethyl-4-nitropyrazole-3-carboxamide Traditional Name: N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-1,5-dimethyl-4-nitro-pyrazole-3-carboxamide Formula: C18H20N6O4 MolecularWeight: 384.3892

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCN2C=C(C=N2)NC(=O)C3=NN(C(=C3[N+](=O)[O-])C)C

Isomeric SMILES

CCC1=CC=C(C=C1)OCN2C=C(C=N2)NC(=O)C3=NN(C(=C3[N+](=O)[O-])C)C

InChI

InChI=1S/C18H20N6O4/c1-4-13-5-7-15(8-6-13)28-11-23-10-14(9-19-23)20-18(25)16-17(24(26)27)12(2)22(3)21-16/h5-10H,4,11H2,1-3H3,(H,20,25)