[4-[(4-aminophenyl)amino]-3-nitro-phenyl] thiocyanate

Systemtic Name: [4-[(4-aminophenyl)amino]-3-nitro-phenyl] thiocyanate Openeye Name: [4-(4-aminoanilino)-3-nitro-phenyl] thiocyanate CAS Name: thiocyanic acid [4-(4-aminoanilino)-3-nitrophenyl] ester IUPAC Name: [4-(4-aminoanilino)-3-nitrophenyl] thiocyanate Traditional Name: thiocyanic acid [4-(4-aminoanilino)-3-nitro-phenyl] ester Formula: C13H10N4O2S MolecularWeight: 286.3091

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1N)NC2=C(C=C(C=C2)SC#N)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1N)NC2=C(C=C(C=C2)SC#N)[N+](=O)[O-]

InChI

InChI=1S/C13H10N4O2S/c14-8-20-11-5-6-12(13(7-11)17(18)19)16-10-3-1-9(15)2-4-10/h1-7,16H,15H2