2-azaniumyl-4-(4-nitrophenyl)-4-oxidanylidene-butanoate

Systemtic Name: 2-azaniumyl-4-(4-nitrophenyl)-4-oxidanylidene-butanoate Openeye Name: 2-azaniumyl-4-(4-nitrophenyl)-4-oxo-butanoate CAS Name: 2-ammonio-4-(4-nitrophenyl)-4-oxobutanoate IUPAC Name: 2-azaniumyl-4-(4-nitrophenyl)-4-oxobutanoate Traditional Name: 2-ammonio-4-keto-4-(4-nitrophenyl)butyrate Formula: C10H10N2O5 MolecularWeight: 238.1968

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)CC(C(=O)[O-])[NH3+])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)CC(C(=O)[O-])[NH3+])[N+](=O)[O-]

InChI

InChI=1S/C10H10N2O5/c11-8(10(14)15)5-9(13)6-1-3-7(4-2-6)12(16)17/h1-4,8H,5,11H2,(H,14,15)