6-[(E)-2-(4-methoxy-3-nitro-phenyl)ethenyl]-5-nitro-N2,N4-diphenyl-pyrimidine-2,4-diamine

Systemtic Name: 6-[(E)-2-(4-methoxy-3-nitro-phenyl)ethenyl]-5-nitro-N2,N4-diphenyl-pyrimidine-2,4-diamine Openeye Name: 6-[(E)-2-(4-methoxy-3-nitro-phenyl)vinyl]-5-nitro-N2,N4-diphenyl-pyrimidine-2,4-diamine CAS Name: 6-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]-5-nitro-N2,N4-diphenylpyrimidine-2,4-diamine IUPAC Name: 6-[(E)-2-(4-methoxy-3-nitrophenyl)ethenyl]-5-nitro-2-N,4-N-diphenylpyrimidine-2,4-diamine Traditional Name: [2-anilino-6-[(E)-2-(4-methoxy-3-nitro-phenyl)vinyl]-5-nitro-pyrimidin-4-yl]-phenyl-amine Formula: C25H20N6O5 MolecularWeight: 484.4635

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC2=C(C(=NC(=N2)NC3=CC=CC=C3)NC4=CC=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C2=C(C(=NC(=N2)NC3=CC=CC=C3)NC4=CC=CC=C4)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C25H20N6O5/c1-36-22-15-13-17(16-21(22)30(32)33)12-14-20-23(31(34)35)24(26-18-8-4-2-5-9-18)29-25(28-20)27-19-10-6-3-7-11-19/h2-16H,1H3,(H2,26,27,28,29)/b14-12+