[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl] 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-2-oxoethyl] 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid [2-keto-2-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C20H19N3O7 MolecularWeight: 413.38076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O7/c1-13-4-5-14(10-17(13)22(26)27)19(24)12-30-20(25)15-6-7-16(18(11-15)23(28)29)21-8-2-3-9-21/h4-7,10-11H,2-3,8-9,12H2,1H3