(Z)-4,4-dimethyl-1-[(3-nitrophenyl)amino]pent-1-en-3-one

Systemtic Name: (Z)-4,4-dimethyl-1-[(3-nitrophenyl)amino]pent-1-en-3-one Openeye Name: (Z)-4,4-dimethyl-1-(3-nitroanilino)pent-1-en-3-one CAS Name: (Z)-4,4-dimethyl-1-(3-nitroanilino)-1-penten-3-one IUPAC Name: (Z)-4,4-dimethyl-1-(3-nitroanilino)pent-1-en-3-one Traditional Name: (Z)-4,4-dimethyl-1-(3-nitroanilino)pent-1-en-3-one Formula: C13H16N2O3 MolecularWeight: 248.27774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)C=CNC1=CC(=CC=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C(=O)/C=C\NC1=CC(=CC=C1)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O3/c1-13(2,3)12(16)7-8-14-10-5-4-6-11(9-10)15(17)18/h4-9,14H,1-3H3/b8-7-