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

Systemtic Name: O1-ethyl O3-[1-oxidanylidene-1-(prop-2-enylamino)propan-2-yl] 5-nitrobenzene-1,3-dicarboxylate Openeye Name: O3-[2-(allylamino)-1-methyl-2-oxo-ethyl] O1-ethyl 5-nitrobenzene-1,3-dicarboxylate CAS Name: 5-nitrobenzene-1,3-dicarboxylic acid O1-ethyl ester O3-[1-oxo-1-(prop-2-enylamino)propan-2-yl] ester IUPAC Name: 1-O-ethyl 3-O-[1-oxo-1-(prop-2-enylamino)propan-2-yl] 5-nitrobenzene-1,3-dicarboxylate Traditional Name: 5-nitrobenzene-1,3-dicarboxylic acid O3-[2-(allylamino)-2-keto-1-methyl-ethyl] ester O1-ethyl ester Formula: C16H18N2O7 MolecularWeight: 350.32332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H18N2O7/c1-4-6-17-14(19)10(3)25-16(21)12-7-11(15(20)24-5-2)8-13(9-12)18(22)23/h4,7-10H,1,5-6H2,2-3H3,(H,17,19)