methyl 3-[3-[4-(4-carbamimidoylphenyl)-2-nitro-phenyl]-2-oxidanylidene-imidazolidin-1-yl]propanoate hydrochloride

Systemtic Name: methyl 3-[3-[4-(4-carbamimidoylphenyl)-2-nitro-phenyl]-2-oxidanylidene-imidazolidin-1-yl]propanoate hydrochloride Openeye Name: methyl 3-[3-[4-(4-carbamimidoylphenyl)-2-nitro-phenyl]-2-oxo-imidazolidin-1-yl]propanoate hydrochloride CAS Name: 3-[3-[4-(4-carbamimidoylphenyl)-2-nitrophenyl]-2-oxo-1-imidazolidinyl]propanoic acid methyl ester hydrochloride IUPAC Name: methyl 3-[3-[4-(4-carbamimidoylphenyl)-2-nitrophenyl]-2-oxoimidazolidin-1-yl]propanoate hydrochloride Traditional Name: 3-[3-[4-(4-amidinophenyl)-2-nitro-phenyl]-2-keto-imidazolidin-1-yl]propionic acid methyl ester hydrochloride Formula: C20H22ClN5O5 MolecularWeight: 447.87218

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1CCN(C1=O)C2=C(C=C(C=C2)C3=CC=C(C=C3)C(=N)N)[N+](=O)[O-].Cl

Isomeric SMILES

COC(=O)CCN1CCN(C1=O)C2=C(C=C(C=C2)C3=CC=C(C=C3)C(=N)N)[N+](=O)[O-].Cl

InChI

InChI=1S/C20H21N5O5.ClH/c1-30-18(26)8-9-23-10-11-24(20(23)27)16-7-6-15(12-17(16)25(28)29)13-2-4-14(5-3-13)19(21)22;/h2-7,12H,8-11H2,1H3,(H3,21,22);1H