1-ethyl-4-(phenylmethyl)piperazine; 4-[(3-methoxy-3-oxidanylidene-propanoyl)amino]-3-nitro-benzoic acid; dihydrochloride

Systemtic Name: 1-ethyl-4-(phenylmethyl)piperazine; 4-[(3-methoxy-3-oxidanylidene-propanoyl)amino]-3-nitro-benzoic acid; dihydrochloride Openeye Name: 1-benzyl-4-ethyl-piperazine; 4-[(3-methoxy-3-oxo-propanoyl)amino]-3-nitro-benzoic acid; dihydrochloride CAS Name: 1-ethyl-4-(phenylmethyl)piperazine; 4-[(3-methoxy-1,3-dioxopropyl)amino]-3-nitrobenzoic acid; dihydrochloride IUPAC Name: 1-benzyl-4-ethylpiperazine; 4-[(3-methoxy-3-oxopropanoyl)amino]-3-nitrobenzoic acid; dihydrochloride Traditional Name: 1-benzyl-4-ethyl-piperazine; 4-[(3-keto-3-methoxy-propanoyl)amino]-3-nitro-benzoic acid; dihydrochloride Formula: C24H32Cl2N4O7 MolecularWeight: 559.43948

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)CC2=CC=CC=C2.COC(=O)CC(=O)NC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-].Cl.Cl

Isomeric SMILES

CCN1CCN(CC1)CC2=CC=CC=C2.COC(=O)CC(=O)NC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-].Cl.Cl

InChI

InChI=1S/C13H20N2.C11H10N2O7.2ClH/c1-2-14-8-10-15(11-9-14)12-13-6-4-3-5-7-13;1-20-10(15)5-9(14)12-7-3-2-6(11(16)17)4-8(7)13(18)19;;/h3-7H,2,8-12H2,1H3;2-4H,5H2,1H3,(H,12,14)(H,16,17);2*1H