4-(4-nitrophenyl)but-3-yn-2-yl 2-chloranylethanoate

Systemtic Name: 4-(4-nitrophenyl)but-3-yn-2-yl 2-chloranylethanoate Openeye Name: [1-methyl-3-(4-nitrophenyl)prop-2-ynyl] 2-chloroacetate CAS Name: 2-chloroacetic acid 4-(4-nitrophenyl)but-3-yn-2-yl ester IUPAC Name: 4-(4-nitrophenyl)but-3-yn-2-yl 2-chloroacetate Traditional Name: 2-chloroacetic acid [1-methyl-3-(4-nitrophenyl)prop-2-ynyl] ester Formula: C12H10ClNO4 MolecularWeight: 267.6651

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H10ClNO4/c1-9(18-12(15)8-13)2-3-10-4-6-11(7-5-10)14(16)17/h4-7,9H,8H2,1H3