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

Systemtic Name: N-[(E)-(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methylideneamino]-2,4-dinitro-aniline Openeye Name: N-[(E)-(4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyleneamino]-2,4-dinitro-aniline CAS Name: N-[(E)-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2,4-dinitroaniline IUPAC Name: N-[(E)-(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methylideneamino]-2,4-dinitroaniline Traditional Name: [(E)-(4-benzoxy-3-bromo-5-ethoxy-benzylidene)amino]-(2,4-dinitrophenyl)amine Formula: C22H19BrN4O6 MolecularWeight: 515.31346

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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-])Br)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)/C=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])Br)OCC3=CC=CC=C3

InChI

InChI=1S/C22H19BrN4O6/c1-2-32-21-11-16(10-18(23)22(21)33-14-15-6-4-3-5-7-15)13-24-25-19-9-8-17(26(28)29)12-20(19)27(30)31/h3-13,25H,2,14H2,1H3/b24-13+