2-azanyl-7-(4-nitrophenyl)-7-oxidanylidene-heptanoic acid

Systemtic Name: 2-azanyl-7-(4-nitrophenyl)-7-oxidanylidene-heptanoic acid Openeye Name: 2-amino-7-(4-nitrophenyl)-7-oxo-heptanoic acid CAS Name: 2-amino-7-(4-nitrophenyl)-7-oxoheptanoic acid IUPAC Name: 2-amino-7-(4-nitrophenyl)-7-oxoheptanoic acid Traditional Name: 2-amino-7-keto-7-(4-nitrophenyl)enanthic acid Formula: C13H16N2O5 MolecularWeight: 280.27654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O5/c14-11(13(17)18)3-1-2-4-12(16)9-5-7-10(8-6-9)15(19)20/h5-8,11H,1-4,14H2,(H,17,18)