1-isothiocyanato-1-(4-nitrophenyl)-N-[(4-nitrophenyl)methyl]methanimine

Systemtic Name: 1-isothiocyanato-1-(4-nitrophenyl)-N-[(4-nitrophenyl)methyl]methanimine Openeye Name: 4-nitro-N-[(4-nitrophenyl)methyl]benzimidoyl isothiocyanate CAS Name: 1-isothiocyanato-1-(4-nitrophenyl)-N-[(4-nitrophenyl)methyl]methanimine IUPAC Name: 4-nitro-N-[(4-nitrophenyl)methyl]benzenecarboximidoyl isothiocyanate Traditional Name: [isothiocyanato-(4-nitrophenyl)methylene]-(4-nitrobenzyl)amine Formula: C15H10N4O4S MolecularWeight: 342.3293

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN=C(C2=CC=C(C=C2)[N+](=O)[O-])N=C=S)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CN=C(C2=CC=C(C=C2)[N+](=O)[O-])N=C=S)[N+](=O)[O-]

InChI

InChI=1S/C15H10N4O4S/c20-18(21)13-5-1-11(2-6-13)9-16-15(17-10-24)12-3-7-14(8-4-12)19(22)23/h1-8H,9H2