5-(azepan-1-yl)-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(azepan-1-yl)-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(azepan-1-yl)-2-(2-nitrophenyl)oxazole-4-carbonitrile CAS Name: 5-(1-azepanyl)-2-(2-nitrophenyl)-4-oxazolecarbonitrile IUPAC Name: 5-(azepan-1-yl)-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(azepan-1-yl)-2-(2-nitrophenyl)oxazole-4-carbonitrile Formula: C16H16N4O3 MolecularWeight: 312.32324

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(N=C(O2)C3=CC=CC=C3[N+](=O)[O-])C#N

Isomeric SMILES

C1CCCN(CC1)C2=C(N=C(O2)C3=CC=CC=C3[N+](=O)[O-])C#N

InChI

InChI=1S/C16H16N4O3/c17-11-13-16(19-9-5-1-2-6-10-19)23-15(18-13)12-7-3-4-8-14(12)20(21)22/h3-4,7-8H,1-2,5-6,9-10H2