(3E)-3-[(3-nitro-4-propan-2-yl-phenyl)methylidene]indene-1,2-dione

Systemtic Name: (3E)-3-[(3-nitro-4-propan-2-yl-phenyl)methylidene]indene-1,2-dione Openeye Name: (3E)-3-[(4-isopropyl-3-nitro-phenyl)methylene]indane-1,2-dione CAS Name: (3E)-3-[(3-nitro-4-propan-2-ylphenyl)methylidene]indene-1,2-dione IUPAC Name: (3E)-3-[(3-nitro-4-propan-2-ylphenyl)methylidene]indene-1,2-dione Traditional Name: (3E)-3-(4-isopropyl-3-nitro-benzylidene)indane-1,2-quinone Formula: C19H15NO4 MolecularWeight: 321.3267

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=C(C=C1)C=C2C3=CC=CC=C3C(=O)C2=O)[N+](=O)[O-]

Isomeric SMILES

CC(C)C1=C(C=C(C=C1)/C=C/2\C3=CC=CC=C3C(=O)C2=O)[N+](=O)[O-]

InChI

InChI=1S/C19H15NO4/c1-11(2)13-8-7-12(10-17(13)20(23)24)9-16-14-5-3-4-6-15(14)18(21)19(16)22/h3-11H,1-2H3/b16-9+