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

Systemtic Name: N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]-3-nitro-benzamide Openeye Name: N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-3-nitrobenzamide IUPAC Name: N-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoethyl]-3-nitrobenzamide Traditional Name: N-[2-(homoveratrylamino)-2-keto-ethyl]-3-nitro-benzamide Formula: C19H21N3O6 MolecularWeight: 387.38654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O6/c1-27-16-7-6-13(10-17(16)28-2)8-9-20-18(23)12-21-19(24)14-4-3-5-15(11-14)22(25)26/h3-7,10-11H,8-9,12H2,1-2H3,(H,20,23)(H,21,24)