(2R)-2-(2-azaniumylethylazaniumyl)-4-[(4-nitrophenyl)amino]-4-oxidanylidene-butanoate

Systemtic Name: (2R)-2-(2-azaniumylethylazaniumyl)-4-[(4-nitrophenyl)amino]-4-oxidanylidene-butanoate Openeye Name: (2R)-2-(2-azaniumylethylammonio)-4-(4-nitroanilino)-4-oxo-butanoate CAS Name: (2R)-2-(2-ammonioethylammonio)-4-(4-nitroanilino)-4-oxobutanoate IUPAC Name: (2R)-2-(2-azaniumylethylazaniumyl)-4-(4-nitroanilino)-4-oxobutanoate Traditional Name: (2R)-2-(2-ammonioethylammonio)-4-keto-4-(4-nitroanilino)butyrate Formula: C12H17N4O5+ MolecularWeight: 297.28718

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H16N4O5/c13-5-6-14-10(12(18)19)7-11(17)15-8-1-3-9(4-2-8)16(20)21/h1-4,10,14H,5-7,13H2,(H,15,17)(H,18,19)/p+1/t10-/m1/s1