(E)-1-isocyanato-3-(4-nitrophenyl)prop-2-en-1-one

Systemtic Name: (E)-1-isocyanato-3-(4-nitrophenyl)prop-2-en-1-one Openeye Name: (E)-3-(4-nitrophenyl)prop-2-enoyl isocyanate CAS Name: (E)-1-isocyanato-3-(4-nitrophenyl)-2-propen-1-one IUPAC Name: (E)-3-(4-nitrophenyl)prop-2-enoyl isocyanate Traditional Name: (E)-1-isocyanato-3-(4-nitrophenyl)prop-2-en-1-one Formula: C10H6N2O4 MolecularWeight: 218.16564

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C=CC(=O)N=C=O)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1/C=C/C(=O)N=C=O)[N+](=O)[O-]

InChI

InChI=1S/C10H6N2O4/c13-7-11-10(14)6-3-8-1-4-9(5-2-8)12(15)16/h1-6H/b6-3+