O1-ethyl O3-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 5-nitrobenzene-1,3-dicarboxylate

Systemtic Name: O1-ethyl O3-[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O1-ethyl O3-[2-oxo-2-(prop-2-ynylamino)ethyl] 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: 1-O-ethyl 3-O-[2-oxo-2-(prop-2-ynylamino)ethyl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[2-keto-2-(propargylamino)ethyl] ester Formula: C15H14N2O7 MolecularWeight: 334.28086

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NCC#C)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC(=C1)C(=O)OCC(=O)NCC#C)[N+](=O)[O-]

InChI

InChI=1S/C15H14N2O7/c1-3-5-16-13(18)9-24-15(20)11-6-10(14(19)23-4-2)7-12(8-11)17(21)22/h1,6-8H,4-5,9H2,2H3,(H,16,18)