diethyl 2-[(E)-2-(4-dimethylaminophenyl)-1-nitro-ethenyl]-2-oxidanyl-propanedioate

Systemtic Name: diethyl 2-[(E)-2-(4-dimethylaminophenyl)-1-nitro-ethenyl]-2-oxidanyl-propanedioate Openeye Name: diethyl 2-[(E)-2-(4-dimethylaminophenyl)-1-nitro-vinyl]-2-hydroxy-propanedioate CAS Name: 2-[(E)-2-(4-dimethylaminophenyl)-1-nitroethenyl]-2-hydroxypropanedioic acid diethyl ester IUPAC Name: diethyl 2-[(E)-2-(4-dimethylaminophenyl)-1-nitroethenyl]-2-hydroxypropanedioate Traditional Name: 2-[(E)-2-(4-dimethylaminophenyl)-1-nitro-vinyl]-2-hydroxy-malonic acid diethyl ester Formula: C17H22N2O7 MolecularWeight: 366.36578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=CC1=CC=C(C=C1)N(C)C)[N+](=O)[O-])(C(=O)OCC)O

Isomeric SMILES

CCOC(=O)C(/C(=C\C1=CC=C(C=C1)N(C)C)/[N+](=O)[O-])(C(=O)OCC)O

InChI

InChI=1S/C17H22N2O7/c1-5-25-15(20)17(22,16(21)26-6-2)14(19(23)24)11-12-7-9-13(10-8-12)18(3)4/h7-11,22H,5-6H2,1-4H3/b14-11+