propan-2-yl 4-(4-nitrophenyl)-2-oxidanylidene-but-3-ynoate

Systemtic Name: propan-2-yl 4-(4-nitrophenyl)-2-oxidanylidene-but-3-ynoate Openeye Name: isopropyl 4-(4-nitrophenyl)-2-oxo-but-3-ynoate CAS Name: 4-(4-nitrophenyl)-2-oxo-3-butynoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-(4-nitrophenyl)-2-oxobut-3-ynoate Traditional Name: 2-keto-4-(4-nitrophenyl)but-3-ynoic acid isopropyl ester Formula: C13H11NO5 MolecularWeight: 261.23014

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(=O)C#CC1=CC=C(C=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)OC(=O)C(=O)C#CC1=CC=C(C=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H11NO5/c1-9(2)19-13(16)12(15)8-5-10-3-6-11(7-4-10)14(17)18/h3-4,6-7,9H,1-2H3