2-[2-(3-nitrophenyl)-4-oxidanylidene-5-(propan-2-ylamino)pyran-3-yl]ethanoic acid

Systemtic Name: 2-[2-(3-nitrophenyl)-4-oxidanylidene-5-(propan-2-ylamino)pyran-3-yl]ethanoic acid Openeye Name: 2-[5-(isopropylamino)-2-(3-nitrophenyl)-4-oxo-pyran-3-yl]acetic acid CAS Name: 2-[2-(3-nitrophenyl)-4-oxo-5-(propan-2-ylamino)-3-pyranyl]acetic acid IUPAC Name: 2-[2-(3-nitrophenyl)-4-oxo-5-(propan-2-ylamino)pyran-3-yl]acetic acid Traditional Name: 2-[5-(isopropylamino)-4-keto-2-(3-nitrophenyl)pyran-3-yl]acetic acid Formula: C16H16N2O6 MolecularWeight: 332.30804

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC1=COC(=C(C1=O)CC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC1=COC(=C(C1=O)CC(=O)O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O6/c1-9(2)17-13-8-24-16(12(15(13)21)7-14(19)20)10-4-3-5-11(6-10)18(22)23/h3-6,8-9,17H,7H2,1-2H3,(H,19,20)