3-azanyl-5-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-2-propyl-benzamide hydrochloride

Systemtic Name: 3-azanyl-5-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-2-propyl-benzamide hydrochloride Openeye Name: 3-amino-5-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-2-propyl-benzamide hydrochloride CAS Name: 3-amino-5-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-2-propylbenzamide hydrochloride IUPAC Name: 3-amino-5-[2-(3,4-dimethoxyphenyl)ethyl]-4-nitro-2-propylbenzamide hydrochloride Traditional Name: 3-amino-5-homoveratryl-4-nitro-2-propyl-benzamide hydrochloride Formula: C20H26ClN3O5 MolecularWeight: 423.89054

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C=C1C(=O)N)CCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-])N.Cl

Isomeric SMILES

CCCC1=C(C(=C(C=C1C(=O)N)CCC2=CC(=C(C=C2)OC)OC)[N+](=O)[O-])N.Cl

InChI

InChI=1S/C20H25N3O5.ClH/c1-4-5-14-15(20(22)24)11-13(19(18(14)21)23(25)26)8-6-12-7-9-16(27-2)17(10-12)28-3;/h7,9-11H,4-6,8,21H2,1-3H3,(H2,22,24);1H