2-(2-ethyl-6-nitro-4-oxidanylidene-3H-chromen-2-yl)ethanoic acid

Systemtic Name: 2-(2-ethyl-6-nitro-4-oxidanylidene-3H-chromen-2-yl)ethanoic acid Openeye Name: 2-(2-ethyl-6-nitro-4-oxo-chroman-2-yl)acetic acid CAS Name: 2-(2-ethyl-6-nitro-4-oxo-3,4-dihydro-2H-1-benzopyran-2-yl)acetic acid IUPAC Name: 2-(2-ethyl-6-nitro-4-oxo-3H-chromen-2-yl)acetic acid Traditional Name: 2-(2-ethyl-4-keto-6-nitro-chroman-2-yl)acetic acid Formula: C13H13NO6 MolecularWeight: 279.24542

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Descriptors Computed from Structure

Canonical SMILES:

CCC1(CC(=O)C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

CCC1(CC(=O)C2=C(O1)C=CC(=C2)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C13H13NO6/c1-2-13(7-12(16)17)6-10(15)9-5-8(14(18)19)3-4-11(9)20-13/h3-5H,2,6-7H2,1H3,(H,16,17)