[4-[(2,4-dimethylphenyl)iminomethyl]phenyl] 3,5-dinitrobenzoate

Systemtic Name: [4-[(2,4-dimethylphenyl)iminomethyl]phenyl] 3,5-dinitrobenzoate Openeye Name: [4-[(2,4-dimethylphenyl)iminomethyl]phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [4-[(2,4-dimethylphenyl)iminomethyl]phenyl] ester IUPAC Name: [4-[(2,4-dimethylphenyl)iminomethyl]phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [4-[(2,4-dimethylphenyl)iminomethyl]phenyl] ester Formula: C22H17N3O6 MolecularWeight: 419.38688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N3O6/c1-14-3-8-21(15(2)9-14)23-13-16-4-6-20(7-5-16)31-22(26)17-10-18(24(27)28)12-19(11-17)25(29)30/h3-13H,1-2H3