prop-2-ynyl 5-[(4-nitrophenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: prop-2-ynyl 5-[(4-nitrophenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: prop-2-ynyl 5-(4-nitroanilino)-5-oxo-pentanoate CAS Name: 5-(4-nitroanilino)-5-oxopentanoic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 5-(4-nitroanilino)-5-oxopentanoate Traditional Name: 5-keto-5-(4-nitroanilino)valeric acid propargyl ester Formula: C14H14N2O5 MolecularWeight: 290.27136

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H14N2O5/c1-2-10-21-14(18)5-3-4-13(17)15-11-6-8-12(9-7-11)16(19)20/h1,6-9H,3-5,10H2,(H,15,17)