3,5-bis[(4-nitrophenyl)-(phenylmethyl)amino]-1,3,4-oxadiazol-2-one

Systemtic Name: 3,5-bis[(4-nitrophenyl)-(phenylmethyl)amino]-1,3,4-oxadiazol-2-one Openeye Name: 3,5-bis(N-benzyl-4-nitro-anilino)-1,3,4-oxadiazol-2-one CAS Name: 3,5-bis(4-nitro-N-(phenylmethyl)anilino)-1,3,4-oxadiazol-2-one IUPAC Name: 3,5-bis(N-benzyl-4-nitroanilino)-1,3,4-oxadiazol-2-one Traditional Name: 3,5-bis(N-benzyl-4-nitro-anilino)-1,3,4-oxadiazol-2-one Formula: C28H22N6O6 MolecularWeight: 538.51088

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(C2=CC=C(C=C2)[N+](=O)[O-])C3=NN(C(=O)O3)N(CC4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CN(C2=CC=C(C=C2)[N+](=O)[O-])C3=NN(C(=O)O3)N(CC4=CC=CC=C4)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H22N6O6/c35-28-32(31(20-22-9-5-2-6-10-22)24-13-17-26(18-14-24)34(38)39)29-27(40-28)30(19-21-7-3-1-4-8-21)23-11-15-25(16-12-23)33(36)37/h1-18H,19-20H2