[2-[(2-methyl-5-nitro-phenyl)iminomethyl]phenyl] 3,5-dinitrobenzoate

Systemtic Name: [2-[(2-methyl-5-nitro-phenyl)iminomethyl]phenyl] 3,5-dinitrobenzoate Openeye Name: [2-[(2-methyl-5-nitro-phenyl)iminomethyl]phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [2-[(2-methyl-5-nitrophenyl)iminomethyl]phenyl] ester IUPAC Name: [2-[(2-methyl-5-nitrophenyl)iminomethyl]phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [2-[(2-methyl-5-nitro-phenyl)iminomethyl]phenyl] ester Formula: C21H14N4O8 MolecularWeight: 450.35786

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])N=CC2=CC=CC=C2OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])N=CC2=CC=CC=C2OC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H14N4O8/c1-13-6-7-16(23(27)28)11-19(13)22-12-14-4-2-3-5-20(14)33-21(26)15-8-17(24(29)30)10-18(9-15)25(31)32/h2-12H,1H3