N-(3-azanylpropyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-benzamide hydrochloride

Systemtic Name: N-(3-azanylpropyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-benzamide hydrochloride Openeye Name: N-(3-aminopropyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-benzamide hydrochloride CAS Name: N-(3-aminopropyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitrobenzamide hydrochloride IUPAC Name: N-(3-aminopropyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitrobenzamide hydrochloride Traditional Name: N-(3-aminopropyl)-N-homoveratryl-4-nitro-benzamide hydrochloride Formula: C20H26ClN3O5 MolecularWeight: 423.89054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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