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

Systemtic Name: N-[(Z)-(3-chloranyl-5-methoxy-4-prop-2-ynoxy-phenyl)methylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(Z)-(3-chloro-5-methoxy-4-prop-2-ynoxy-phenyl)methyleneamino]-2,4-dinitro-aniline CAS Name: N-[(Z)-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(Z)-(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylideneamino]-2,4-dinitroaniline Traditional Name: [(Z)-(3-chloro-5-methoxy-4-propargyloxy-benzylidene)amino]-(2,4-dinitrophenyl)amine Formula: C17H13ClN4O6 MolecularWeight: 404.76132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Cl)OCC#C

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=N\NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Cl)OCC#C

InChI

InChI=1S/C17H13ClN4O6/c1-3-6-28-17-13(18)7-11(8-16(17)27-2)10-19-20-14-5-4-12(21(23)24)9-15(14)22(25)26/h1,4-5,7-10,20H,6H2,2H3/b19-10-