diethyl 2-(3-methylbut-2-enyl)-2-[3-[methyl-(2-nitrophenyl)amino]-3-oxidanylidene-propyl]propanedioate

Systemtic Name: diethyl 2-(3-methylbut-2-enyl)-2-[3-[methyl-(2-nitrophenyl)amino]-3-oxidanylidene-propyl]propanedioate Openeye Name: diethyl 2-(3-methylbut-2-enyl)-2-[3-(N-methyl-2-nitro-anilino)-3-oxo-propyl]propanedioate CAS Name: 2-(3-methylbut-2-enyl)-2-[3-(N-methyl-2-nitroanilino)-3-oxopropyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-(3-methylbut-2-enyl)-2-[3-(N-methyl-2-nitroanilino)-3-oxopropyl]propanedioate Traditional Name: 2-[3-keto-3-(N-methyl-2-nitro-anilino)propyl]-2-(3-methylbut-2-enyl)malonic acid diethyl ester Formula: C22H30N2O7 MolecularWeight: 434.4828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O7/c1-6-30-20(26)22(14-12-16(3)4,21(27)31-7-2)15-13-19(25)23(5)17-10-8-9-11-18(17)24(28)29/h8-12H,6-7,13-15H2,1-5H3