prop-2-ynyl 5-[(2-chloranyl-4-nitro-phenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: prop-2-ynyl 5-[(2-chloranyl-4-nitro-phenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: prop-2-ynyl 5-(2-chloro-4-nitro-anilino)-5-oxo-pentanoate CAS Name: 5-(2-chloro-4-nitroanilino)-5-oxopentanoic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 5-(2-chloro-4-nitroanilino)-5-oxopentanoate Traditional Name: 5-(2-chloro-4-nitro-anilino)-5-keto-valeric acid propargyl ester Formula: C14H13ClN2O5 MolecularWeight: 324.71642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCOC(=O)CCCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl

Isomeric SMILES

C#CCOC(=O)CCCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H13ClN2O5/c1-2-8-22-14(19)5-3-4-13(18)16-12-7-6-10(17(20)21)9-11(12)15/h1,6-7,9H,3-5,8H2,(H,16,18)