1-[3-[azanyl-(3-ethanoyl-4-isocyanato-phenyl)methyl]-6-isocyanato-cyclohexa-1,3-dien-1-yl]ethanone

Systemtic Name: 1-[3-[azanyl-(3-ethanoyl-4-isocyanato-phenyl)methyl]-6-isocyanato-cyclohexa-1,3-dien-1-yl]ethanone Openeye Name: 1-[3-[(3-acetyl-4-isocyanato-phenyl)-amino-methyl]-6-isocyanato-cyclohexa-1,3-dien-1-yl]ethanone CAS Name: 1-[3-[(3-acetyl-4-isocyanatophenyl)-aminomethyl]-6-isocyanato-1-cyclohexa-1,3-dienyl]ethanone IUPAC Name: 1-[3-[(3-acetyl-4-isocyanatophenyl)-aminomethyl]-6-isocyanatocyclohexa-1,3-dien-1-yl]ethanone Traditional Name: 1-[3-[(3-acetyl-4-isocyanato-phenyl)-amino-methyl]-6-isocyanato-cyclohexa-1,3-dien-1-yl]ethanone Formula: C19H17N3O4 MolecularWeight: 351.35598

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CCC1N=C=O)C(C2=CC(=C(C=C2)N=C=O)C(=O)C)N

Isomeric SMILES

CC(=O)C1=CC(=CCC1N=C=O)C(C2=CC(=C(C=C2)N=C=O)C(=O)C)N

InChI

InChI=1S/C19H17N3O4/c1-11(25)15-7-13(3-5-17(15)21-9-23)19(20)14-4-6-18(22-10-24)16(8-14)12(2)26/h3-5,7-8,18-19H,6,20H2,1-2H3