(2R)-2-(2-azaniumylethylazaniumyl)-4-[(2-chloranyl-5-nitro-phenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(2-azaniumylethylazaniumyl)-4-[(2-chloranyl-5-nitro-phenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(2-azaniumylethylammonio)-4-(2-chloro-5-nitro-anilino)-4-oxo-butanoate CAS Name: (2R)-2-(2-ammonioethylammonio)-4-(2-chloro-5-nitroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(2-azaniumylethylazaniumyl)-4-(2-chloro-5-nitroanilino)-4-oxobutanoate Traditional Name: (2R)-2-(2-ammonioethylammonio)-4-(2-chloro-5-nitro-anilino)-4-keto-butyrate Formula: C12H16ClN4O5+ MolecularWeight: 331.73224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15ClN4O5/c13-8-2-1-7(17(21)22)5-9(8)16-11(18)6-10(12(19)20)15-4-3-14/h1-2,5,10,15H,3-4,6,14H2,(H,16,18)(H,19,20)/p+1/t10-/m1/s1