3-(1-methoxycyclohexyl)-1-(4-nitrophenyl)prop-2-yn-1-one

Systemtic Name: 3-(1-methoxycyclohexyl)-1-(4-nitrophenyl)prop-2-yn-1-one Openeye Name: 3-(1-methoxycyclohexyl)-1-(4-nitrophenyl)prop-2-yn-1-one CAS Name: 3-(1-methoxycyclohexyl)-1-(4-nitrophenyl)-2-propyn-1-one IUPAC Name: 3-(1-methoxycyclohexyl)-1-(4-nitrophenyl)prop-2-yn-1-one Traditional Name: 3-(1-methoxycyclohexyl)-1-(4-nitrophenyl)prop-2-yn-1-one Formula: C16H17NO4 MolecularWeight: 287.31048

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CCCCC1)C#CC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

COC1(CCCCC1)C#CC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H17NO4/c1-21-16(10-3-2-4-11-16)12-9-15(18)13-5-7-14(8-6-13)17(19)20/h5-8H,2-4,10-11H2,1H3