N-[2-(4-methoxycyclohexa-1,4-dien-1-yl)ethyl]-6-nitro-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[2-(4-methoxycyclohexa-1,4-dien-1-yl)ethyl]-6-nitro-1,3-benzodioxole-5-carboxamide Openeye Name: N-[2-(4-methoxycyclohexa-1,4-dien-1-yl)ethyl]-6-nitro-1,3-benzodioxole-5-carboxamide CAS Name: N-[2-(4-methoxy-1-cyclohexa-1,4-dienyl)ethyl]-6-nitro-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[2-(4-methoxycyclohexa-1,4-dien-1-yl)ethyl]-6-nitro-1,3-benzodioxole-5-carboxamide Traditional Name: N-[2-(4-methoxycyclohexa-1,4-dien-1-yl)ethyl]-6-nitro-piperonylamide Formula: C17H18N2O6 MolecularWeight: 346.33462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CCC(=CC1)CCNC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

COC1=CCC(=CC1)CCNC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C17H18N2O6/c1-23-12-4-2-11(3-5-12)6-7-18-17(20)13-8-15-16(25-10-24-15)9-14(13)19(21)22/h2,5,8-9H,3-4,6-7,10H2,1H3,(H,18,20)