3-chloranyl-N-[(3,4-dimethoxyphenyl)methyl]-6-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[(3,4-dimethoxyphenyl)methyl]-6-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-6-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-6-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[(3,4-dimethoxyphenyl)methyl]-6-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-6-nitro-N-veratryl-benzothiophene-2-carboxamide Formula: C18H15ClN2O5S MolecularWeight: 406.8401

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2=C(C3=C(S2)C=C(C=C3)[N+](=O)[O-])Cl)OC

InChI

InChI=1S/C18H15ClN2O5S/c1-25-13-6-3-10(7-14(13)26-2)9-20-18(22)17-16(19)12-5-4-11(21(23)24)8-15(12)27-17/h3-8H,9H2,1-2H3,(H,20,22)