(E)-1-(azepan-1-yl)-3-(5-nitrofuran-2-yl)prop-2-en-1-one

Systemtic Name: (E)-1-(azepan-1-yl)-3-(5-nitrofuran-2-yl)prop-2-en-1-one Openeye Name: (E)-1-(azepan-1-yl)-3-(5-nitro-2-furyl)prop-2-en-1-one CAS Name: (E)-1-(1-azepanyl)-3-(5-nitro-2-furanyl)-2-propen-1-one IUPAC Name: (E)-1-(azepan-1-yl)-3-(5-nitrofuran-2-yl)prop-2-en-1-one Traditional Name: (E)-1-(azepan-1-yl)-3-(5-nitro-2-furyl)prop-2-en-1-one Formula: C13H16N2O4 MolecularWeight: 264.27714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)C=CC2=CC=C(O2)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)/C=C/C2=CC=C(O2)[N+](=O)[O-]

InChI

InChI=1S/C13H16N2O4/c16-12(14-9-3-1-2-4-10-14)7-5-11-6-8-13(19-11)15(17)18/h5-8H,1-4,9-10H2/b7-5+