prop-2-ynyl 5-[[2,6-bis(chloranyl)-4-nitro-phenyl]amino]-5-oxidanylidene-pentanoate

Systemtic Name: prop-2-ynyl 5-[[2,6-bis(chloranyl)-4-nitro-phenyl]amino]-5-oxidanylidene-pentanoate Openeye Name: prop-2-ynyl 5-(2,6-dichloro-4-nitro-anilino)-5-oxo-pentanoate CAS Name: 5-(2,6-dichloro-4-nitroanilino)-5-oxopentanoic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 5-(2,6-dichloro-4-nitroanilino)-5-oxopentanoate Traditional Name: 5-(2,6-dichloro-4-nitro-anilino)-5-keto-valeric acid propargyl ester Formula: C14H12Cl2N2O5 MolecularWeight: 359.16148

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Descriptors Computed from Structure

Canonical SMILES:

C#CCOC(=O)CCCC(=O)NC1=C(C=C(C=C1Cl)[N+](=O)[O-])Cl

Isomeric SMILES

C#CCOC(=O)CCCC(=O)NC1=C(C=C(C=C1Cl)[N+](=O)[O-])Cl

InChI

InChI=1S/C14H12Cl2N2O5/c1-2-6-23-13(20)5-3-4-12(19)17-14-10(15)7-9(18(21)22)8-11(14)16/h1,7-8H,3-6H2,(H,17,19)