2-butanoyl-3-[(3-nitrophenyl)amino]cyclohex-2-en-1-one

Systemtic Name: 2-butanoyl-3-[(3-nitrophenyl)amino]cyclohex-2-en-1-one Openeye Name: 2-butanoyl-3-(3-nitroanilino)cyclohex-2-en-1-one CAS Name: 3-(3-nitroanilino)-2-(1-oxobutyl)-1-cyclohex-2-enone IUPAC Name: 2-butanoyl-3-(3-nitroanilino)cyclohex-2-en-1-one Traditional Name: 2-butyryl-3-(3-nitroanilino)cyclohex-2-en-1-one Formula: C16H18N2O4 MolecularWeight: 302.32512

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(CCCC1=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)C1=C(CCCC1=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H18N2O4/c1-2-5-14(19)16-13(8-4-9-15(16)20)17-11-6-3-7-12(10-11)18(21)22/h3,6-7,10,17H,2,4-5,8-9H2,1H3