5-(methoxymethyl)-6-[(Z)-1-nitro-3-(phenylsulfonyl)prop-1-en-2-yl]-1,3-benzodioxole

Systemtic Name: 5-(methoxymethyl)-6-[(Z)-1-nitro-3-(phenylsulfonyl)prop-1-en-2-yl]-1,3-benzodioxole Openeye Name: 5-[(Z)-1-(benzenesulfonylmethyl)-2-nitro-vinyl]-6-(methoxymethyl)-1,3-benzodioxole CAS Name: 5-[(Z)-3-(benzenesulfonyl)-1-nitroprop-1-en-2-yl]-6-(methoxymethyl)-1,3-benzodioxole IUPAC Name: 5-[(Z)-3-(benzenesulfonyl)-1-nitroprop-1-en-2-yl]-6-(methoxymethyl)-1,3-benzodioxole Traditional Name: 5-[(Z)-1-(besylmethyl)-2-nitro-vinyl]-6-(methoxymethyl)-1,3-benzodioxole Formula: C18H17NO7S MolecularWeight: 391.39508

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=CC2=C(C=C1C(=C[N+](=O)[O-])CS(=O)(=O)C3=CC=CC=C3)OCO2

Isomeric SMILES

COCC1=CC2=C(C=C1/C(=C/[N+](=O)[O-])/CS(=O)(=O)C3=CC=CC=C3)OCO2

InChI

InChI=1S/C18H17NO7S/c1-24-10-13-7-17-18(26-12-25-17)8-16(13)14(9-19(20)21)11-27(22,23)15-5-3-2-4-6-15/h2-9H,10-12H2,1H3/b14-9+