[3-nitro-4-[2-(1,2,4-triazol-1-yl)ethylamino]phenyl]-phenyl-methanone

Systemtic Name: [3-nitro-4-[2-(1,2,4-triazol-1-yl)ethylamino]phenyl]-phenyl-methanone Openeye Name: [3-nitro-4-[2-(1,2,4-triazol-1-yl)ethylamino]phenyl]-phenyl-methanone CAS Name: [3-nitro-4-[2-(1,2,4-triazol-1-yl)ethylamino]phenyl]-phenylmethanone IUPAC Name: [3-nitro-4-[2-(1,2,4-triazol-1-yl)ethylamino]phenyl]-phenylmethanone Traditional Name: [3-nitro-4-[2-(1,2,4-triazol-1-yl)ethylamino]phenyl]-phenyl-methanone Formula: C17H15N5O3 MolecularWeight: 337.3327

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)NCCN3C=NC=N3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)NCCN3C=NC=N3)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O3/c23-17(13-4-2-1-3-5-13)14-6-7-15(16(10-14)22(24)25)19-8-9-21-12-18-11-20-21/h1-7,10-12,19H,8-9H2