6-isocyanato-2-methyl-4-prop-2-ynyl-1,4-benzoxazin-3-one

Systemtic Name: 6-isocyanato-2-methyl-4-prop-2-ynyl-1,4-benzoxazin-3-one Openeye Name: 6-isocyanato-2-methyl-4-prop-2-ynyl-1,4-benzoxazin-3-one CAS Name: 6-isocyanato-2-methyl-4-prop-2-ynyl-1,4-benzoxazin-3-one IUPAC Name: 6-isocyanato-2-methyl-4-prop-2-ynyl-1,4-benzoxazin-3-one Traditional Name: 6-isocyanato-2-methyl-4-propargyl-1,4-benzoxazin-3-one Formula: C13H10N2O3 MolecularWeight: 242.2301

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)N=C=O)CC#C

Isomeric SMILES

CC1C(=O)N(C2=C(O1)C=CC(=C2)N=C=O)CC#C

InChI

InChI=1S/C13H10N2O3/c1-3-6-15-11-7-10(14-8-16)4-5-12(11)18-9(2)13(15)17/h1,4-5,7,9H,6H2,2H3