[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 2-azanyl-3-oxidanylidene-nonanoate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 2-azanyl-3-oxidanylidene-nonanoate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 2-amino-3-oxo-nonanoate CAS Name: 2-amino-3-oxononanoic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 2-amino-3-oxononanoate Traditional Name: 2-amino-3-keto-pelargonic acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C17H22N2O6 MolecularWeight: 350.36638

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=O)C(C(=O)OCC(=O)C1=CC=C(C=C1)[N+](=O)[O-])N

Isomeric SMILES

CCCCCCC(=O)C(C(=O)OCC(=O)C1=CC=C(C=C1)[N+](=O)[O-])N

InChI

InChI=1S/C17H22N2O6/c1-2-3-4-5-6-14(20)16(18)17(22)25-11-15(21)12-7-9-13(10-8-12)19(23)24/h7-10,16H,2-6,11,18H2,1H3