butan-1-amine; 2,4-diisocyanato-1-methyl-benzene

Systemtic Name: butan-1-amine; 2,4-diisocyanato-1-methyl-benzene Openeye Name: butan-1-amine; 2,4-diisocyanato-1-methyl-benzene CAS Name: 1-butanamine; 2,4-diisocyanato-1-methylbenzene IUPAC Name: butan-1-amine; 2,4-diisocyanato-1-methylbenzene Traditional Name: butylamine; 2,4-diisocyanato-1-methyl-benzene Formula: C13H17N3O2 MolecularWeight: 247.29298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN.CC1=C(C=C(C=C1)N=C=O)N=C=O

Isomeric SMILES

CCCCN.CC1=C(C=C(C=C1)N=C=O)N=C=O

InChI

InChI=1S/C9H6N2O2.C4H11N/c1-7-2-3-8(10-5-12)4-9(7)11-6-13;1-2-3-4-5/h2-4H,1H3;2-5H2,1H3