(E)-4-(1,2-dimethyl-5-nitro-indol-3-yl)but-3-en-2-one

Systemtic Name: (E)-4-(1,2-dimethyl-5-nitro-indol-3-yl)but-3-en-2-one Openeye Name: (E)-4-(1,2-dimethyl-5-nitro-indol-3-yl)but-3-en-2-one CAS Name: (E)-4-(1,2-dimethyl-5-nitro-3-indolyl)-3-buten-2-one IUPAC Name: (E)-4-(1,2-dimethyl-5-nitroindol-3-yl)but-3-en-2-one Traditional Name: (E)-4-(1,2-dimethyl-5-nitro-indol-3-yl)but-3-en-2-one Formula: C14H14N2O3 MolecularWeight: 258.27256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1C)C=CC(=C2)[N+](=O)[O-])C=CC(=O)C

Isomeric SMILES

CC1=C(C2=C(N1C)C=CC(=C2)[N+](=O)[O-])/C=C/C(=O)C

InChI

InChI=1S/C14H14N2O3/c1-9(17)4-6-12-10(2)15(3)14-7-5-11(16(18)19)8-13(12)14/h4-8H,1-3H3/b6-4+