2-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]-N-(3-nitro-2-oxidanyl-phenyl)ethanamide hydrochloride

Systemtic Name: 2-[4-(3,4-dimethoxyphenyl)carbonylpiperazin-1-yl]-N-(3-nitro-2-oxidanyl-phenyl)ethanamide hydrochloride Openeye Name: 2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-(2-hydroxy-3-nitro-phenyl)acetamide hydrochloride CAS Name: 2-[4-[(3,4-dimethoxyphenyl)-oxomethyl]-1-piperazinyl]-N-(2-hydroxy-3-nitrophenyl)acetamide hydrochloride IUPAC Name: 2-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-N-(2-hydroxy-3-nitrophenyl)acetamide hydrochloride Traditional Name: N-(2-hydroxy-3-nitro-phenyl)-2-(4-veratroylpiperazino)acetamide hydrochloride Formula: C21H25ClN4O7 MolecularWeight: 480.8988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])O)OC.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)N2CCN(CC2)CC(=O)NC3=C(C(=CC=C3)[N+](=O)[O-])O)OC.Cl

InChI

InChI=1S/C21H24N4O7.ClH/c1-31-17-7-6-14(12-18(17)32-2)21(28)24-10-8-23(9-11-24)13-19(26)22-15-4-3-5-16(20(15)27)25(29)30;/h3-7,12,27H,8-11,13H2,1-2H3,(H,22,26);1H