N-[(E)-1-(2-chlorophenyl)octadecylideneamino]-2,4-dinitro-aniline

Systemtic Name: N-[(E)-1-(2-chlorophenyl)octadecylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-1-(2-chlorophenyl)octadecylideneamino]-2,4-dinitro-aniline CAS Name: N-[(E)-1-(2-chlorophenyl)octadecylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-1-(2-chlorophenyl)octadecylideneamino]-2,4-dinitroaniline Traditional Name: [(E)-1-(2-chlorophenyl)octadecylideneamino]-(2,4-dinitrophenyl)amine Formula: C30H43ClN4O4 MolecularWeight: 559.13982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=NNC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])C2=CC=CC=C2Cl

Isomeric SMILES

CCCCCCCCCCCCCCCCC/C(=N\NC1=C(C=C(C=C1)[N+](=O)[O-])[N+](=O)[O-])/C2=CC=CC=C2Cl

InChI

InChI=1S/C30H43ClN4O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28(26-19-17-18-20-27(26)31)32-33-29-23-22-25(34(36)37)24-30(29)35(38)39/h17-20,22-24,33H,2-16,21H2,1H3/b32-28+