N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(dimethylamino)-3-nitro-phenyl]carbonyl-N-methyl-benzamide

Systemtic Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(dimethylamino)-3-nitro-phenyl]carbonyl-N-methyl-benzamide Openeye Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(dimethylamino)-3-nitro-benzoyl]-N-methyl-benzamide CAS Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[4-(dimethylamino)-3-nitrophenyl]-oxomethyl]-N-methylbenzamide IUPAC Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[4-(dimethylamino)-3-nitrobenzoyl]-N-methylbenzamide Traditional Name: 2-[4-(dimethylamino)-3-nitro-benzoyl]-N-homoveratryl-N-methyl-benzamide Formula: C27H29N3O6 MolecularWeight: 491.53566

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)N(C)CCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)C(=O)C2=CC=CC=C2C(=O)N(C)CCC3=CC(=C(C=C3)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C27H29N3O6/c1-28(2)22-12-11-19(17-23(22)30(33)34)26(31)20-8-6-7-9-21(20)27(32)29(3)15-14-18-10-13-24(35-4)25(16-18)36-5/h6-13,16-17H,14-15H2,1-5H3