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

Systemtic Name: 4-(cyclopropylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-nitro-benzamide Openeye Name: 4-(cyclopropylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-nitro-benzamide CAS Name: 4-(cyclopropylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-nitrobenzamide IUPAC Name: 4-(cyclopropylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-nitrobenzamide Traditional Name: 4-(cyclopropylamino)-N-[2-(3,4-diethoxyphenyl)ethyl]-3-nitro-benzamide Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)C2=CC(=C(C=C2)NC3CC3)[N+](=O)[O-])OCC

InChI

InChI=1S/C22H27N3O5/c1-3-29-20-10-5-15(13-21(20)30-4-2)11-12-23-22(26)16-6-9-18(24-17-7-8-17)19(14-16)25(27)28/h5-6,9-10,13-14,17,24H,3-4,7-8,11-12H2,1-2H3,(H,23,26)