1-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-phenyl-urea

Systemtic Name: 1-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-phenyl-urea Openeye Name: 1-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-3-phenyl-urea CAS Name: 1-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-phenylurea IUPAC Name: 1-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-3-phenylurea Traditional Name: 1-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-3-phenyl-urea Formula: C15H12N4O5 MolecularWeight: 328.27958

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C=NNC(=O)NC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)/C=N/NC(=O)NC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H12N4O5/c20-15(17-11-4-2-1-3-5-11)18-16-8-10-6-13-14(24-9-23-13)7-12(10)19(21)22/h1-8H,9H2,(H2,17,18,20)/b16-8+