ethyl 4-(4-methoxy-2-nitro-5-propan-2-yloxy-phenyl)-4-oxidanylidene-but-2-ynoate

Systemtic Name: ethyl 4-(4-methoxy-2-nitro-5-propan-2-yloxy-phenyl)-4-oxidanylidene-but-2-ynoate Openeye Name: ethyl 4-(5-isopropoxy-4-methoxy-2-nitro-phenyl)-4-oxo-but-2-ynoate CAS Name: 4-(4-methoxy-2-nitro-5-propan-2-yloxyphenyl)-4-oxo-2-butynoic acid ethyl ester IUPAC Name: ethyl 4-(4-methoxy-2-nitro-5-propan-2-yloxyphenyl)-4-oxobut-2-ynoate Traditional Name: 4-(5-isopropoxy-4-methoxy-2-nitro-phenyl)-4-keto-but-2-ynoic acid ethyl ester Formula: C16H17NO7 MolecularWeight: 335.30868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17NO7/c1-5-23-16(19)7-6-13(18)11-8-15(24-10(2)3)14(22-4)9-12(11)17(20)21/h8-10H,5H2,1-4H3