2-(azepan-2-ylidene)-2-nitro-1-phenyl-ethanone

Systemtic Name: 2-(azepan-2-ylidene)-2-nitro-1-phenyl-ethanone Openeye Name: 2-(azepan-2-ylidene)-2-nitro-1-phenyl-ethanone CAS Name: 2-(2-azepanylidene)-2-nitro-1-phenylethanone IUPAC Name: 2-(azepan-2-ylidene)-2-nitro-1-phenylethanone Traditional Name: 2-(azepan-2-ylidene)-2-nitro-1-phenyl-ethanone Formula: C14H16N2O3 MolecularWeight: 260.28844

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=C(C(=O)C2=CC=CC=C2)[N+](=O)[O-])NCC1

Isomeric SMILES

C1CCC(=C(C(=O)C2=CC=CC=C2)[N+](=O)[O-])NCC1

InChI

InChI=1S/C14H16N2O3/c17-14(11-7-3-1-4-8-11)13(16(18)19)12-9-5-2-6-10-15-12/h1,3-4,7-8,15H,2,5-6,9-10H2