(E)-4-(5,6-dinitro-1H-benzo[g]indol-3-yl)but-3-en-2-one

Systemtic Name: (E)-4-(5,6-dinitro-1H-benzo[g]indol-3-yl)but-3-en-2-one Openeye Name: (E)-4-(5,6-dinitro-1H-benzo[g]indol-3-yl)but-3-en-2-one CAS Name: (E)-4-(5,6-dinitro-1H-benzo[g]indol-3-yl)-3-buten-2-one IUPAC Name: (E)-4-(5,6-dinitro-1H-benzo[g]indol-3-yl)but-3-en-2-one Traditional Name: (E)-4-(5,6-dinitro-1H-benz[g]indol-3-yl)but-3-en-2-one Formula: C16H11N3O5 MolecularWeight: 325.27564

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C=CC1=CNC2=C3C=CC=C(C3=C(C=C12)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC(=O)/C=C/C1=CNC2=C3C=CC=C(C3=C(C=C12)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C16H11N3O5/c1-9(20)5-6-10-8-17-16-11-3-2-4-13(18(21)22)15(11)14(19(23)24)7-12(10)16/h2-8,17H,1H3/b6-5+