N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methyl-4-nitro-pyrazol-1-yl)propanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methyl-4-nitro-pyrazol-1-yl)propanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methyl-4-nitro-pyrazol-1-yl)propanamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methyl-4-nitro-1-pyrazolyl)propanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methyl-4-nitropyrazol-1-yl)propanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(3-methyl-4-nitro-pyrazol-1-yl)propionamide Formula: C15H16N4O5 MolecularWeight: 332.31134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C=C1[N+](=O)[O-])CCC(=O)NC2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC1=NN(C=C1[N+](=O)[O-])CCC(=O)NC2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C15H16N4O5/c1-10-12(19(21)22)9-18(17-10)5-4-15(20)16-11-2-3-13-14(8-11)24-7-6-23-13/h2-3,8-9H,4-7H2,1H3,(H,16,20)