3-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile

Systemtic Name: 3-[(6-ethanoyl-1,3-benzodioxol-5-yl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile Openeye Name: 3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(4-nitrophenyl)thiazol-2-yl]prop-2-enenitrile CAS Name: 3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(4-nitrophenyl)-2-thiazolyl]-2-propenenitrile IUPAC Name: 3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile Traditional Name: 3-[(6-acetyl-1,3-benzodioxol-5-yl)amino]-2-[4-(4-nitrophenyl)thiazol-2-yl]acrylonitrile Formula: C21H14N4O5S MolecularWeight: 434.42466

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC=C(C#N)C3=NC(=CS3)C4=CC=C(C=C4)[N+](=O)[O-])OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC=C(C#N)C3=NC(=CS3)C4=CC=C(C=C4)[N+](=O)[O-])OCO2

InChI

InChI=1S/C21H14N4O5S/c1-12(26)16-6-19-20(30-11-29-19)7-17(16)23-9-14(8-22)21-24-18(10-31-21)13-2-4-15(5-3-13)25(27)28/h2-7,9-10,23H,11H2,1H3