N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxidanylidene-propyl]-4-nitro-benzamide

Systemtic Name: N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxidanylidene-propyl]-4-nitro-benzamide Openeye Name: N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxo-propyl]-4-nitro-benzamide CAS Name: N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]-4-nitrobenzamide IUPAC Name: N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]-3-oxopropyl]-4-nitrobenzamide Traditional Name: N-[3-(homoveratrylamino)-3-keto-propyl]-4-nitro-benzamide Formula: C20H23N3O6 MolecularWeight: 401.41312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCNC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC

InChI

InChI=1S/C20H23N3O6/c1-28-17-8-3-14(13-18(17)29-2)9-11-21-19(24)10-12-22-20(25)15-4-6-16(7-5-15)23(26)27/h3-8,13H,9-12H2,1-2H3,(H,21,24)(H,22,25)