(1E)-1-[azanyl-[(4-nitrophenyl)amino]methylidene]-3-ethyl-urea; isocyanatoethane

Systemtic Name: (1E)-1-[azanyl-[(4-nitrophenyl)amino]methylidene]-3-ethyl-urea; isocyanatoethane Openeye Name: (1E)-1-[amino-(4-nitroanilino)methylene]-3-ethyl-urea; isocyanatoethane CAS Name: (1E)-1-[amino-(4-nitroanilino)methylidene]-3-ethylurea; isocyanatoethane IUPAC Name: (1E)-1-[amino-(4-nitroanilino)methylidene]-3-ethylurea; isocyanatoethane Traditional Name: (1E)-1-[amino-(4-nitroanilino)methylene]-3-ethyl-urea; isocyanatoethane Formula: C13H18N6O4 MolecularWeight: 322.31982

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)N=C(N)NC1=CC=C(C=C1)[N+](=O)[O-].CCN=C=O

Isomeric SMILES

CCNC(=O)/N=C(\N)/NC1=CC=C(C=C1)[N+](=O)[O-].CCN=C=O

InChI

InChI=1S/C10H13N5O3.C3H5NO/c1-2-12-10(16)14-9(11)13-7-3-5-8(6-4-7)15(17)18;1-2-4-3-5/h3-6H,2H2,1H3,(H4,11,12,13,14,16);2H2,1H3