[2,6-bis(bromanyl)-4-[(4-methylphenyl)iminomethyl]phenyl] 3,5-dinitrobenzoate

Systemtic Name: [2,6-bis(bromanyl)-4-[(4-methylphenyl)iminomethyl]phenyl] 3,5-dinitrobenzoate Openeye Name: [2,6-dibromo-4-(p-tolyliminomethyl)phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2,6-dibromo-4-[(4-methylphenyl)iminomethyl]phenyl] ester IUPAC Name: [2,6-dibromo-4-[(4-methylphenyl)iminomethyl]phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2,6-dibromo-4-(p-tolyliminomethyl)phenyl] ester Formula: C21H13Br2N3O6 MolecularWeight: 563.15242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N=CC2=CC(=C(C(=C2)Br)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])Br

Isomeric SMILES

CC1=CC=C(C=C1)N=CC2=CC(=C(C(=C2)Br)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-])Br

InChI

InChI=1S/C21H13Br2N3O6/c1-12-2-4-15(5-3-12)24-11-13-6-18(22)20(19(23)7-13)32-21(27)14-8-16(25(28)29)10-17(9-14)26(30)31/h2-11H,1H3