[(2E)-2-(4-bromophenyl)-2-[(2,4-dinitrophenyl)hydrazinylidene]ethyl] 3-methylbenzoate

Systemtic Name: [(2E)-2-(4-bromophenyl)-2-[(2,4-dinitrophenyl)hydrazinylidene]ethyl] 3-methylbenzoate Openeye Name: [(2E)-2-(4-bromophenyl)-2-[(2,4-dinitrophenyl)hydrazono]ethyl] 3-methylbenzoate CAS Name: 3-methylbenzoic acid [(2E)-2-(4-bromophenyl)-2-[(2,4-dinitrophenyl)hydrazinylidene]ethyl] ester IUPAC Name: [(2E)-2-(4-bromophenyl)-2-[(2,4-dinitrophenyl)hydrazinylidene]ethyl] 3-methylbenzoate Traditional Name: 3-methylbenzoic acid [(2E)-2-(4-bromophenyl)-2-[(2,4-dinitrophenyl)hydrazono]ethyl] ester Formula: C22H17BrN4O6 MolecularWeight: 513.29758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)OCC(=NNC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)OC/C(=N/NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])/C3=CC=C(C=C3)Br

InChI

InChI=1S/C22H17BrN4O6/c1-14-3-2-4-16(11-14)22(28)33-13-20(15-5-7-17(23)8-6-15)25-24-19-10-9-18(26(29)30)12-21(19)27(31)32/h2-12,24H,13H2,1H3/b25-20-