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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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