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

Systemtic Name: [4-[(3-methylphenyl)iminomethyl]phenyl] 3,5-dinitrobenzoate Openeye Name: [4-(m-tolyliminomethyl)phenyl] 3,5-dinitrobenzoate CAS Name: 3,5-dinitrobenzoic acid [4-[(3-methylphenyl)iminomethyl]phenyl] ester IUPAC Name: [4-[(3-methylphenyl)iminomethyl]phenyl] 3,5-dinitrobenzoate Traditional Name: 3,5-dinitrobenzoic acid [4-(m-tolyliminomethyl)phenyl] ester Formula: C21H15N3O6 MolecularWeight: 405.3603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H15N3O6/c1-14-3-2-4-17(9-14)22-13-15-5-7-20(8-6-15)30-21(25)16-10-18(23(26)27)12-19(11-16)24(28)29/h2-13H,1H3