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

Systemtic Name: [(2E)-2-(4-bromophenyl)-2-[(2,4-dinitrophenyl)hydrazinylidene]ethyl] 2-azanylbenzoate Openeye Name: [(2E)-2-(4-bromophenyl)-2-[(2,4-dinitrophenyl)hydrazono]ethyl] 2-aminobenzoate CAS Name: 2-aminobenzoic acid [(2E)-2-(4-bromophenyl)-2-[(2,4-dinitrophenyl)hydrazinylidene]ethyl] ester IUPAC Name: [(2E)-2-(4-bromophenyl)-2-[(2,4-dinitrophenyl)hydrazinylidene]ethyl] 2-aminobenzoate Traditional Name: 2-aminobenzoic acid [(2E)-2-(4-bromophenyl)-2-[(2,4-dinitrophenyl)hydrazono]ethyl] ester Formula: C21H16BrN5O6 MolecularWeight: 514.28564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrN5O6/c22-14-7-5-13(6-8-14)19(12-33-21(28)16-3-1-2-4-17(16)23)25-24-18-10-9-15(26(29)30)11-20(18)27(31)32/h1-11,24H,12,23H2/b25-19-