5-(hexylamino)-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(hexylamino)-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(hexylamino)-2-(2-nitrophenyl)oxazole-4-carbonitrile CAS Name: 5-(hexylamino)-2-(2-nitrophenyl)-4-oxazolecarbonitrile IUPAC Name: 5-(hexylamino)-2-(2-nitrophenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(hexylamino)-2-(2-nitrophenyl)oxazole-4-carbonitrile Formula: C16H18N4O3 MolecularWeight: 314.33912

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=C(N=C(O1)C2=CC=CC=C2[N+](=O)[O-])C#N

Isomeric SMILES

CCCCCCNC1=C(N=C(O1)C2=CC=CC=C2[N+](=O)[O-])C#N

InChI

InChI=1S/C16H18N4O3/c1-2-3-4-7-10-18-16-13(11-17)19-15(23-16)12-8-5-6-9-14(12)20(21)22/h5-6,8-9,18H,2-4,7,10H2,1H3