5-(1,3-benzodioxol-5-ylamino)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-(1,3-benzodioxol-5-ylamino)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile Openeye Name: 5-(1,3-benzodioxol-5-ylamino)-2-(4-methoxyphenyl)oxazole-4-carbonitrile CAS Name: 5-(1,3-benzodioxol-5-ylamino)-2-(4-methoxyphenyl)-4-oxazolecarbonitrile IUPAC Name: 5-(1,3-benzodioxol-5-ylamino)-2-(4-methoxyphenyl)-1,3-oxazole-4-carbonitrile Traditional Name: 5-(1,3-benzodioxol-5-ylamino)-2-(4-methoxyphenyl)oxazole-4-carbonitrile Formula: C18H13N3O4 MolecularWeight: 335.31352

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(O2)NC3=CC4=C(C=C3)OCO4)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(O2)NC3=CC4=C(C=C3)OCO4)C#N

InChI

InChI=1S/C18H13N3O4/c1-22-13-5-2-11(3-6-13)17-21-14(9-19)18(25-17)20-12-4-7-15-16(8-12)24-10-23-15/h2-8,20H,10H2,1H3