3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(3-nitrophenyl)pyrazole-4-carboxamide

Systemtic Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(3-nitrophenyl)pyrazole-4-carboxamide Openeye Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(3-nitrophenyl)pyrazole-4-carboxamide CAS Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(3-nitrophenyl)-4-pyrazolecarboxamide IUPAC Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(3-nitrophenyl)pyrazole-4-carboxamide Traditional Name: 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(3-nitrophenyl)pyrazole-4-carboxamide Formula: C20H18N4O5 MolecularWeight: 394.38072

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CN1C=C(C(=N1)C2=CC3=C(C=C2)OCCCO3)C(=O)NC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N4O5/c1-23-12-16(20(25)21-14-4-2-5-15(11-14)24(26)27)19(22-23)13-6-7-17-18(10-13)29-9-3-8-28-17/h2,4-7,10-12H,3,8-9H2,1H3,(H,21,25)