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

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]-6-nitro-1,3-benzothiazol-2-amine Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]-6-nitro-1,3-benzothiazol-2-amine CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-6-nitro-1,3-benzothiazol-2-amine IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]-6-nitro-1,3-benzothiazol-2-amine Traditional Name: (6-nitro-1,3-benzothiazol-2-yl)-veratryl-amine Formula: C16H15N3O4S MolecularWeight: 345.373

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])OC

InChI

InChI=1S/C16H15N3O4S/c1-22-13-6-3-10(7-14(13)23-2)9-17-16-18-12-5-4-11(19(20)21)8-15(12)24-16/h3-8H,9H2,1-2H3,(H,17,18)