N-[[5-(isothiocyanatomethyl)furan-2-yl]methylideneamino]-2,4-dinitro-aniline

Systemtic Name: N-[[5-(isothiocyanatomethyl)furan-2-yl]methylideneamino]-2,4-dinitro-aniline Openeye Name: N-[[5-(isothiocyanatomethyl)-2-furyl]methyleneamino]-2,4-dinitro-aniline CAS Name: N-[[5-(isothiocyanatomethyl)-2-furanyl]methylideneamino]-2,4-dinitroaniline IUPAC Name: N-[[5-(isothiocyanatomethyl)furan-2-yl]methylideneamino]-2,4-dinitroaniline Traditional Name: (2,4-dinitrophenyl)-[[5-(isothiocyanatomethyl)-2-furyl]methyleneamino]amine Formula: C13H9N5O5S MolecularWeight: 347.30606

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NN=CC2=CC=C(O2)CN=C=S

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])NN=CC2=CC=C(O2)CN=C=S

InChI

InChI=1S/C13H9N5O5S/c19-17(20)9-1-4-12(13(5-9)18(21)22)16-15-7-11-3-2-10(23-11)6-14-8-24/h1-5,7,16H,6H2