4-(cyclopropylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-nitro-benzamide

Systemtic Name: 4-(cyclopropylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-methyl-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-homoveratryl-N-methyl-3-nitro-benzamide Formula: C21H25N3O5 MolecularWeight: 399.4403

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)OC)OC)C(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-]

InChI

InChI=1S/C21H25N3O5/c1-23(11-10-14-4-9-19(28-2)20(12-14)29-3)21(25)15-5-8-17(22-16-6-7-16)18(13-15)24(26)27/h4-5,8-9,12-13,16,22H,6-7,10-11H2,1-3H3