(3E)-1-(4-methoxy-2-nitro-phenoxy)-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one

Systemtic Name: (3E)-1-(4-methoxy-2-nitro-phenoxy)-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one Openeye Name: (3E)-1-(4-methoxy-2-nitro-phenoxy)-3-(1,3,3-trimethylindolin-2-ylidene)propan-2-one CAS Name: (3E)-1-(4-methoxy-2-nitrophenoxy)-3-(1,3,3-trimethyl-2-indolylidene)-2-propanone IUPAC Name: (3E)-1-(4-methoxy-2-nitrophenoxy)-3-(1,3,3-trimethylindol-2-ylidene)propan-2-one Traditional Name: (3E)-1-(4-methoxy-2-nitro-phenoxy)-3-(1,3,3-trimethylindolin-2-ylidene)acetone Formula: C21H22N2O5 MolecularWeight: 382.40978

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(C1=CC(=O)COC3=C(C=C(C=C3)OC)[N+](=O)[O-])C)C

Isomeric SMILES

CC\1(C2=CC=CC=C2N(/C1=C/C(=O)COC3=C(C=C(C=C3)OC)[N+](=O)[O-])C)C

InChI

InChI=1S/C21H22N2O5/c1-21(2)16-7-5-6-8-17(16)22(3)20(21)11-14(24)13-28-19-10-9-15(27-4)12-18(19)23(25)26/h5-12H,13H2,1-4H3/b20-11+