N-[(E)-(3-chloranyl-5-ethoxy-4-propoxy-phenyl)methylideneamino]-2,4-dinitro-aniline

Systemtic Name: N-[(E)-(3-chloranyl-5-ethoxy-4-propoxy-phenyl)methylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-(3-chloro-5-ethoxy-4-propoxy-phenyl)methyleneamino]-2,4-dinitro-aniline CAS Name: N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-(3-chloro-5-ethoxy-4-propoxyphenyl)methylideneamino]-2,4-dinitroaniline Traditional Name: [(E)-(3-chloro-5-ethoxy-4-propoxy-benzylidene)amino]-(2,4-dinitrophenyl)amine Formula: C18H19ClN4O6 MolecularWeight: 422.81966

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)/C=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OCC

InChI

InChI=1S/C18H19ClN4O6/c1-3-7-29-18-14(19)8-12(9-17(18)28-4-2)11-20-21-15-6-5-13(22(24)25)10-16(15)23(26)27/h5-6,8-11,21H,3-4,7H2,1-2H3/b20-11+