[2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate

Systemtic Name: [2-oxidanylidene-3-(1,3,3-trimethylindol-2-ylidene)propyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethanoate Openeye Name: [2-oxo-3-(1,3,3-trimethylindolin-2-ylidene)propyl] 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetate CAS Name: 2-(3,5-dimethyl-4-nitro-1-pyrazolyl)acetic acid [2-oxo-3-(1,3,3-trimethyl-2-indolylidene)propyl] ester IUPAC Name: [2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 2-(3,5-dimethyl-4-nitropyrazol-1-yl)acetate Traditional Name: 2-(3,5-dimethyl-4-nitro-pyrazol-1-yl)acetic acid [2-keto-3-(1,3,3-trimethylindolin-2-ylidene)propyl] ester Formula: C21H24N4O5 MolecularWeight: 412.43906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)OCC(=O)C=C2C(C3=CC=CC=C3N2C)(C)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC(=O)OCC(=O)C=C2C(C3=CC=CC=C3N2C)(C)C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H24N4O5/c1-13-20(25(28)29)14(2)24(22-13)11-19(27)30-12-15(26)10-18-21(3,4)16-8-6-7-9-17(16)23(18)5/h6-10H,11-12H2,1-5H3