1-(azepan-1-yl)-2-(2,4-dinitrophenyl)ethanone

Systemtic Name: 1-(azepan-1-yl)-2-(2,4-dinitrophenyl)ethanone Openeye Name: 1-(azepan-1-yl)-2-(2,4-dinitrophenyl)ethanone CAS Name: 1-(1-azepanyl)-2-(2,4-dinitrophenyl)ethanone IUPAC Name: 1-(azepan-1-yl)-2-(2,4-dinitrophenyl)ethanone Traditional Name: 1-(azepan-1-yl)-2-(2,4-dinitrophenyl)ethanone Formula: C14H17N3O5 MolecularWeight: 307.30188

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C(=O)CC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C(=O)CC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H17N3O5/c18-14(15-7-3-1-2-4-8-15)9-11-5-6-12(16(19)20)10-13(11)17(21)22/h5-6,10H,1-4,7-9H2