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

Systemtic Name: 4-chloranyl-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-3-nitro-1H-pyrazole-5-carboxamide Openeye Name: 4-chloro-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-3-nitro-1H-pyrazole-5-carboxamide CAS Name: 4-chloro-N-[1-[(4-ethylphenoxy)methyl]-4-pyrazolyl]-3-nitro-1H-pyrazole-5-carboxamide IUPAC Name: 4-chloro-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-3-nitro-1H-pyrazole-5-carboxamide Traditional Name: 4-chloro-N-[1-[(4-ethylphenoxy)methyl]pyrazol-4-yl]-3-nitro-1H-pyrazole-5-carboxamide Formula: C16H15ClN6O4 MolecularWeight: 390.7811

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OCN2C=C(C=N2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Cl

Isomeric SMILES

CCC1=CC=C(C=C1)OCN2C=C(C=N2)NC(=O)C3=C(C(=NN3)[N+](=O)[O-])Cl

InChI

InChI=1S/C16H15ClN6O4/c1-2-10-3-5-12(6-4-10)27-9-22-8-11(7-18-22)19-16(24)14-13(17)15(21-20-14)23(25)26/h3-8H,2,9H2,1H3,(H,19,24)(H,20,21)