N-[(E)-[3,5-bis(bromanyl)-2-prop-2-enoxy-phenyl]methylideneamino]-2,4-dinitro-aniline

Systemtic Name: N-[(E)-[3,5-bis(bromanyl)-2-prop-2-enoxy-phenyl]methylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-(2-allyloxy-3,5-dibromo-phenyl)methyleneamino]-2,4-dinitro-aniline CAS Name: N-[(E)-(3,5-dibromo-2-prop-2-enoxyphenyl)methylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-(3,5-dibromo-2-prop-2-enoxyphenyl)methylideneamino]-2,4-dinitroaniline Traditional Name: [(E)-(2-allyloxy-3,5-dibromo-benzylidene)amino]-(2,4-dinitrophenyl)amine Formula: C16H12Br2N4O5 MolecularWeight: 500.09828

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Descriptors Computed from Structure

Canonical SMILES:

C=CCOC1=C(C=C(C=C1C=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Br)Br

Isomeric SMILES

C=CCOC1=C(C=C(C=C1/C=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Br)Br

InChI

InChI=1S/C16H12Br2N4O5/c1-2-5-27-16-10(6-11(17)7-13(16)18)9-19-20-14-4-3-12(21(23)24)8-15(14)22(25)26/h2-4,6-9,20H,1,5H2/b19-9+