(2R)-2-(3-azaniumylpropylazaniumyl)-4-[(4-chloranyl-3-nitro-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(3-azaniumylpropylazaniumyl)-4-[(4-chloranyl-3-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(3-azaniumylpropylammonio)-4-(4-chloro-3-nitro-anilino)-4-oxo-butanoate CAS Name: (2R)-2-(3-ammoniopropylammonio)-4-(4-chloro-3-nitroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(3-azaniumylpropylazaniumyl)-4-(4-chloro-3-nitroanilino)-4-oxobutanoate Traditional Name: (2R)-2-(3-ammoniopropylammonio)-4-(4-chloro-3-nitro-anilino)-4-keto-butyrate Formula: C13H18ClN4O5+ MolecularWeight: 345.75882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CC(C(=O)[O-])[NH2+]CCC[NH3+])[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)C[C@H](C(=O)[O-])[NH2+]CCC[NH3+])[N+](=O)[O-])Cl

InChI

InChI=1S/C13H17ClN4O5/c14-9-3-2-8(6-11(9)18(22)23)17-12(19)7-10(13(20)21)16-5-1-4-15/h2-3,6,10,16H,1,4-5,7,15H2,(H,17,19)(H,20,21)/p+1/t10-/m1/s1