4-[(3-nitrophenyl)methylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[(3-nitrophenyl)methylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[(3-nitrophenyl)methylamino]-4-oxo-butanoic acid CAS Name: 4-[(3-nitrophenyl)methylamino]-4-oxobutanoic acid IUPAC Name: 4-[(3-nitrophenyl)methylamino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[(3-nitrobenzyl)amino]butyric acid Formula: C11H12N2O5 MolecularWeight: 252.22338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])CNC(=O)CCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])CNC(=O)CCC(=O)O

InChI

InChI=1S/C11H12N2O5/c14-10(4-5-11(15)16)12-7-8-2-1-3-9(6-8)13(17)18/h1-3,6H,4-5,7H2,(H,12,14)(H,15,16)