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

Systemtic Name: N-[(E)-(3-chloranyl-5-ethoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-(3-chloro-5-ethoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-2,4-dinitro-aniline CAS Name: N-[(E)-(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-(3-chloro-5-ethoxy-4-prop-2-ynoxyphenyl)methylideneamino]-2,4-dinitroaniline Traditional Name: [(E)-(3-chloro-5-ethoxy-4-propargyloxy-benzylidene)amino]-(2,4-dinitrophenyl)amine Formula: C18H15ClN4O6 MolecularWeight: 418.7879

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Cl)OCC#C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Cl)OCC#C

InChI

InChI=1S/C18H15ClN4O6/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/h1,5-6,8-11,21H,4,7H2,2H3/b20-11+