4-azanyl-2-methyl-1-(3-nitrophenyl)but-3-yn-1-one

Systemtic Name: 4-azanyl-2-methyl-1-(3-nitrophenyl)but-3-yn-1-one Openeye Name: 4-amino-2-methyl-1-(3-nitrophenyl)but-3-yn-1-one CAS Name: 4-amino-2-methyl-1-(3-nitrophenyl)-3-butyn-1-one IUPAC Name: 4-amino-2-methyl-1-(3-nitrophenyl)but-3-yn-1-one Traditional Name: 4-amino-2-methyl-1-(3-nitrophenyl)but-3-yn-1-one Formula: C11H10N2O3 MolecularWeight: 218.2087

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N2O3/c1-8(5-6-12)11(14)9-3-2-4-10(7-9)13(15)16/h2-4,7-8H,12H2,1H3