2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(2-methoxy-4-nitro-phenyl)amino]prop-2-enenitrile

Systemtic Name: 2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-[(2-methoxy-4-nitro-phenyl)amino]prop-2-enenitrile Openeye Name: 2-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-3-(2-methoxy-4-nitro-anilino)prop-2-enenitrile CAS Name: 2-[4-(1,3-benzodioxol-5-yl)-2-thiazolyl]-3-(2-methoxy-4-nitroanilino)-2-propenenitrile IUPAC Name: 2-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]-3-(2-methoxy-4-nitroanilino)prop-2-enenitrile Traditional Name: 2-[4-(1,3-benzodioxol-5-yl)thiazol-2-yl]-3-(2-methoxy-4-nitro-anilino)acrylonitrile Formula: C20H14N4O5S MolecularWeight: 422.41396

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)[N+](=O)[O-])NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

COC1=C(C=CC(=C1)[N+](=O)[O-])NC=C(C#N)C2=NC(=CS2)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H14N4O5S/c1-27-18-7-14(24(25)26)3-4-15(18)22-9-13(8-21)20-23-16(10-30-20)12-2-5-17-19(6-12)29-11-28-17/h2-7,9-10,22H,11H2,1H3