N-[2-(3,4-dimethoxyphenyl)ethyl]-6-nitro-1,3-benzothiazol-2-amine

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-nitro-1,3-benzothiazol-2-amine Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-nitro-1,3-benzothiazol-2-amine CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-nitro-1,3-benzothiazol-2-amine IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-6-nitro-1,3-benzothiazol-2-amine Traditional Name: homoveratryl-(6-nitro-1,3-benzothiazol-2-yl)amine Formula: C17H17N3O4S MolecularWeight: 359.39958

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C17H17N3O4S/c1-23-14-6-3-11(9-15(14)24-2)7-8-18-17-19-13-5-4-12(20(21)22)10-16(13)25-17/h3-6,9-10H,7-8H2,1-2H3,(H,18,19)