4-[(3,4-dimethoxyphenyl)methyl]-N1-(5-methylthiophen-2-yl)-3-nitro-benzene-1,2-dicarboxamide

Systemtic Name: 4-[(3,4-dimethoxyphenyl)methyl]-N1-(5-methylthiophen-2-yl)-3-nitro-benzene-1,2-dicarboxamide Openeye Name: 4-[(3,4-dimethoxyphenyl)methyl]-N1-(5-methyl-2-thienyl)-3-nitro-phthalamide CAS Name: 4-[(3,4-dimethoxyphenyl)methyl]-N1-(5-methyl-2-thiophenyl)-3-nitrobenzene-1,2-dicarboxamide IUPAC Name: 4-[(3,4-dimethoxyphenyl)methyl]-1-N-(5-methylthiophen-2-yl)-3-nitrobenzene-1,2-dicarboxamide Traditional Name: N-(5-methyl-2-thienyl)-3-nitro-4-veratryl-phthalamide Formula: C22H21N3O6S MolecularWeight: 455.48364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)NC(=O)C2=C(C(=C(C=C2)CC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-])C(=O)N

Isomeric SMILES

CC1=CC=C(S1)NC(=O)C2=C(C(=C(C=C2)CC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-])C(=O)N

InChI

InChI=1S/C22H21N3O6S/c1-12-4-9-18(32-12)24-22(27)15-7-6-14(20(25(28)29)19(15)21(23)26)10-13-5-8-16(30-2)17(11-13)31-3/h4-9,11H,10H2,1-3H3,(H2,23,26)(H,24,27)