prop-2-ynyl 5-[(3-nitrophenyl)amino]-5-oxidanylidene-pentanoate

Systemtic Name: prop-2-ynyl 5-[(3-nitrophenyl)amino]-5-oxidanylidene-pentanoate Openeye Name: prop-2-ynyl 5-(3-nitroanilino)-5-oxo-pentanoate CAS Name: 5-(3-nitroanilino)-5-oxopentanoic acid prop-2-ynyl ester IUPAC Name: prop-2-ynyl 5-(3-nitroanilino)-5-oxopentanoate Traditional Name: 5-keto-5-(3-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(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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