1-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)urea

Systemtic Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)urea Openeye Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)urea CAS Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)urea IUPAC Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)urea Traditional Name: 1-(6-nitro-1,3-benzothiazol-2-yl)-3-(4-nitrophenyl)urea Formula: C14H9N5O5S MolecularWeight: 359.31676

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)NC2=NC3=C(S2)C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H9N5O5S/c20-13(15-8-1-3-9(4-2-8)18(21)22)17-14-16-11-6-5-10(19(23)24)7-12(11)25-14/h1-7H,(H2,15,16,17,20)