isocyanatobenzene; 4-isocyanatobenzoic acid

Systemtic Name: isocyanatobenzene; 4-isocyanatobenzoic acid Openeye Name: isocyanatobenzene; 4-isocyanatobenzoic acid CAS Name: isocyanatobenzene; 4-isocyanatobenzoic acid IUPAC Name: isocyanatobenzene; 4-isocyanatobenzoic acid Traditional Name: isocyanatobenzene; 4-isocyanatobenzoic acid Formula: C15H10N2O4 MolecularWeight: 282.2509

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N=C=O.C1=CC(=CC=C1C(=O)O)N=C=O

Isomeric SMILES

C1=CC=C(C=C1)N=C=O.C1=CC(=CC=C1C(=O)O)N=C=O

InChI

InChI=1S/C8H5NO3.C7H5NO/c10-5-9-7-3-1-6(2-4-7)8(11)12;9-6-8-7-4-2-1-3-5-7/h1-4H,(H,11,12);1-5H