6-isocyano-3-(3-nitrophenyl)sulfonyl-1,2,3-benzotriazin-4-one

Systemtic Name: 6-isocyano-3-(3-nitrophenyl)sulfonyl-1,2,3-benzotriazin-4-one Openeye Name: 6-isocyano-3-(3-nitrophenyl)sulfonyl-1,2,3-benzotriazin-4-one CAS Name: 6-isocyano-3-(3-nitrophenyl)sulfonyl-1,2,3-benzotriazin-4-one IUPAC Name: 6-isocyano-3-(3-nitrophenyl)sulfonyl-1,2,3-benzotriazin-4-one Traditional Name: 6-isocyano-3-(3-nitrophenyl)sulfonyl-1,2,3-benzotriazin-4-one Formula: C14H7N5O5S MolecularWeight: 357.30088

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC2=C(C=C1)N=NN(C2=O)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

[C-]#[N+]C1=CC2=C(C=C1)N=NN(C2=O)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H7N5O5S/c1-15-9-5-6-13-12(7-9)14(20)18(17-16-13)25(23,24)11-4-2-3-10(8-11)19(21)22/h2-8H