2-(dimethylamino)-N-(3,4-dipropoxyphenyl)-5-nitro-benzamide

Systemtic Name: 2-(dimethylamino)-N-(3,4-dipropoxyphenyl)-5-nitro-benzamide Openeye Name: 2-(dimethylamino)-N-(3,4-dipropoxyphenyl)-5-nitro-benzamide CAS Name: 2-(dimethylamino)-N-(3,4-dipropoxyphenyl)-5-nitrobenzamide IUPAC Name: 2-(dimethylamino)-N-(3,4-dipropoxyphenyl)-5-nitrobenzamide Traditional Name: 2-(dimethylamino)-N-(3,4-dipropoxyphenyl)-5-nitro-benzamide Formula: C21H27N3O5 MolecularWeight: 401.45618

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N(C)C)OCCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)NC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N(C)C)OCCC

InChI

InChI=1S/C21H27N3O5/c1-5-11-28-19-10-7-15(13-20(19)29-12-6-2)22-21(25)17-14-16(24(26)27)8-9-18(17)23(3)4/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,22,25)