N-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-2,1,3-benzothiadiazol-5-amine

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-2,1,3-benzothiadiazol-5-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-2,1,3-benzothiadiazol-5-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-2,1,3-benzothiadiazol-5-amine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-2,1,3-benzothiadiazol-5-amine Traditional Name: homoveratryl-(4-nitropiazthiol-5-yl)amine Formula: C16H16N4O4S MolecularWeight: 360.38764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=C(C3=NSN=C3C=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=C(C3=NSN=C3C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C16H16N4O4S/c1-23-13-6-3-10(9-14(13)24-2)7-8-17-12-5-4-11-15(19-25-18-11)16(12)20(21)22/h3-6,9,17H,7-8H2,1-2H3