N-[(E)-(3-methoxy-4-phenylmethoxy-phenyl)methylideneamino]-2,4-dinitro-aniline

Systemtic Name: N-[(E)-(3-methoxy-4-phenylmethoxy-phenyl)methylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-(4-benzyloxy-3-methoxy-phenyl)methyleneamino]-2,4-dinitro-aniline CAS Name: N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-2,4-dinitroaniline Traditional Name: [(E)-(4-benzoxy-3-methoxy-benzylidene)amino]-(2,4-dinitrophenyl)amine Formula: C21H18N4O6 MolecularWeight: 422.39082

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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-])OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)/C=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])OCC3=CC=CC=C3

InChI

InChI=1S/C21H18N4O6/c1-30-21-11-16(7-10-20(21)31-14-15-5-3-2-4-6-15)13-22-23-18-9-8-17(24(26)27)12-19(18)25(28)29/h2-13,23H,14H2,1H3/b22-13+