N-(1,3-benzodioxol-5-yl)-2-(4-nitropyrazol-1-yl)propanamide

Systemtic Name: N-(1,3-benzodioxol-5-yl)-2-(4-nitropyrazol-1-yl)propanamide Openeye Name: N-(1,3-benzodioxol-5-yl)-2-(4-nitropyrazol-1-yl)propanamide CAS Name: N-(1,3-benzodioxol-5-yl)-2-(4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(1,3-benzodioxol-5-yl)-2-(4-nitropyrazol-1-yl)propanamide Traditional Name: N-(1,3-benzodioxol-5-yl)-2-(4-nitropyrazol-1-yl)propionamide Formula: C13H12N4O5 MolecularWeight: 304.25818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)N3C=C(C=N3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)N3C=C(C=N3)[N+](=O)[O-]

InChI

InChI=1S/C13H12N4O5/c1-8(16-6-10(5-14-16)17(19)20)13(18)15-9-2-3-11-12(4-9)22-7-21-11/h2-6,8H,7H2,1H3,(H,15,18)