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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1N=CC2=CC=C(C=C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=CC=C1N=CC2=CC=C(C=C2)OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H17N3O6/c1-2-16-5-3-4-6-21(16)23-14-15-7-9-20(10-8-15)31-22(26)17-11-18(24(27)28)13-19(12-17)25(29)30/h3-14H,2H2,1H3