N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]pyrazole-3-carboxamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]pyrazole-3-carboxamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]pyrazole-3-carboxamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-3-pyrazolecarboxamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]pyrazole-3-carboxamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]pyrazole-3-carboxamide Formula: C18H18N6O5 MolecularWeight: 398.37272

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)NC3=CC4=C(C=C3)OCCO4)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CN2C=CC(=N2)C(=O)NC3=CC4=C(C=C3)OCCO4)C)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O5/c1-11-17(24(26)27)12(2)23(20-11)10-22-6-5-14(21-22)18(25)19-13-3-4-15-16(9-13)29-8-7-28-15/h3-6,9H,7-8,10H2,1-2H3,(H,19,25)