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

Systemtic Name: N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propyl]-4-nitro-benzamide dihydrate hydrochloride Openeye Name: N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propyl]-4-nitro-benzamide dihydrate hydrochloride CAS Name: N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propyl]-4-nitrobenzamide dihydrate hydrochloride IUPAC Name: N-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propyl]-4-nitrobenzamide dihydrate hydrochloride Traditional Name: N-[3-(homoveratrylamino)propyl]-4-nitro-benzamide dihydrate hydrochloride Formula: C20H30ClN3O7 MolecularWeight: 459.9211

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCNCCCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC.O.O.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)CCNCCCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-])OC.O.O.Cl

InChI

InChI=1S/C20H25N3O5.ClH.2H2O/c1-27-18-9-4-15(14-19(18)28-2)10-13-21-11-3-12-22-20(24)16-5-7-17(8-6-16)23(25)26;;;/h4-9,14,21H,3,10-13H2,1-2H3,(H,22,24);1H;2*1H2