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

Systemtic Name: [3-nitro-4-[[4-(1,2,4-triazol-1-yl)phenyl]methylamino]phenyl]-phenyl-methanone Openeye Name: [3-nitro-4-[[4-(1,2,4-triazol-1-yl)phenyl]methylamino]phenyl]-phenyl-methanone CAS Name: [3-nitro-4-[[4-(1,2,4-triazol-1-yl)phenyl]methylamino]phenyl]-phenylmethanone IUPAC Name: [3-nitro-4-[[4-(1,2,4-triazol-1-yl)phenyl]methylamino]phenyl]-phenylmethanone Traditional Name: [3-nitro-4-[[4-(1,2,4-triazol-1-yl)benzyl]amino]phenyl]-phenyl-methanone Formula: C22H17N5O3 MolecularWeight: 399.40208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

InChI

InChI=1S/C22H17N5O3/c28-22(17-4-2-1-3-5-17)18-8-11-20(21(12-18)27(29)30)24-13-16-6-9-19(10-7-16)26-15-23-14-25-26/h1-12,14-15,24H,13H2