(1E,3R)-3-(2-nitropyridin-3-yl)oxy-1-(1,3,3-trimethylindol-2-ylidene)butan-2-one

Systemtic Name: (1E,3R)-3-(2-nitropyridin-3-yl)oxy-1-(1,3,3-trimethylindol-2-ylidene)butan-2-one Openeye Name: (1E,3R)-3-[(2-nitro-3-pyridyl)oxy]-1-(1,3,3-trimethylindolin-2-ylidene)butan-2-one CAS Name: (1E,3R)-3-[(2-nitro-3-pyridinyl)oxy]-1-(1,3,3-trimethyl-2-indolylidene)-2-butanone IUPAC Name: (1E,3R)-3-(2-nitropyridin-3-yl)oxy-1-(1,3,3-trimethylindol-2-ylidene)butan-2-one Traditional Name: (1E,3R)-3-[(2-nitro-3-pyridyl)oxy]-1-(1,3,3-trimethylindolin-2-ylidene)butan-2-one Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C=C1C(C2=CC=CC=C2N1C)(C)C)OC3=C(N=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)/C=C/1\C(C2=CC=CC=C2N1C)(C)C)OC3=C(N=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O4/c1-13(27-17-10-7-11-21-19(17)23(25)26)16(24)12-18-20(2,3)14-8-5-6-9-15(14)22(18)4/h5-13H,1-4H3/b18-12+/t13-/m1/s1