(2Z)-2-[2-(1,3-benzodioxol-5-yl)-3-nitro-propylidene]-1,3,3-trimethyl-indole

Systemtic Name: (2Z)-2-[2-(1,3-benzodioxol-5-yl)-3-nitro-propylidene]-1,3,3-trimethyl-indole Openeye Name: (2Z)-2-[2-(1,3-benzodioxol-5-yl)-3-nitro-propylidene]-1,3,3-trimethyl-indoline CAS Name: (2Z)-2-[2-(1,3-benzodioxol-5-yl)-3-nitropropylidene]-1,3,3-trimethylindole IUPAC Name: (2Z)-2-[2-(1,3-benzodioxol-5-yl)-3-nitropropylidene]-1,3,3-trimethylindole Traditional Name: (2Z)-2-[2-(1,3-benzodioxol-5-yl)-3-nitro-propylidene]-1,3,3-trimethyl-indoline Formula: C21H22N2O4 MolecularWeight: 366.41038

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2N(C1=CC(C[N+](=O)[O-])C3=CC4=C(C=C3)OCO4)C)C

Isomeric SMILES

CC\1(C2=CC=CC=C2N(/C1=C\C(C[N+](=O)[O-])C3=CC4=C(C=C3)OCO4)C)C

InChI

InChI=1S/C21H22N2O4/c1-21(2)16-6-4-5-7-17(16)22(3)20(21)11-15(12-23(24)25)14-8-9-18-19(10-14)27-13-26-18/h4-11,15H,12-13H2,1-3H3/b20-11-