1-(4-nitrophenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethanone

Systemtic Name: 1-(4-nitrophenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethanone Openeye Name: 1-(4-nitrophenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethanone CAS Name: 1-(4-nitrophenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethanone IUPAC Name: 1-(4-nitrophenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethanone Traditional Name: 1-(4-nitrophenyl)-2-(3,4,5,6-tetrahydro-2H-azepin-7-ylamino)ethanone Formula: C14H17N3O3 MolecularWeight: 275.30308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O3/c18-13(10-16-14-4-2-1-3-9-15-14)11-5-7-12(8-6-11)17(19)20/h5-8H,1-4,9-10H2,(H,15,16)