1,2-diisocyanato-3-methyl-benzene; (Z)-2-oxidanylpent-2-enoic acid

Systemtic Name: 1,2-diisocyanato-3-methyl-benzene; (Z)-2-oxidanylpent-2-enoic acid Openeye Name: 1,2-diisocyanato-3-methyl-benzene; (Z)-2-hydroxypent-2-enoic acid CAS Name: 1,2-diisocyanato-3-methylbenzene; (Z)-2-hydroxy-2-pentenoic acid IUPAC Name: 1,2-diisocyanato-3-methylbenzene; (Z)-2-hydroxypent-2-enoic acid Traditional Name: 1,2-diisocyanato-3-methyl-benzene; (Z)-2-hydroxypent-2-enoic acid Formula: C14H14N2O5 MolecularWeight: 290.27136

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Descriptors Computed from Structure

Canonical SMILES:

CCC=C(C(=O)O)O.CC1=C(C(=CC=C1)N=C=O)N=C=O

Isomeric SMILES

CC/C=C(/C(=O)O)\O.CC1=C(C(=CC=C1)N=C=O)N=C=O

InChI

InChI=1S/C9H6N2O2.C5H8O3/c1-7-3-2-4-8(10-5-12)9(7)11-6-13;1-2-3-4(6)5(7)8/h2-4H,1H3;3,6H,2H2,1H3,(H,7,8)/b;4-3-