ethyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-5-nitro-thiophene-3-carboxylate

Systemtic Name: ethyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-5-nitro-thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-5-nitro-thiophene-3-carboxylate CAS Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-5-nitro-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]amino]-5-nitrothiophene-3-carboxylate Traditional Name: 2-[[(E)-3-(1,3-benzodioxol-5-yl)acryloyl]amino]-5-nitro-thiophene-3-carboxylic acid ethyl ester Formula: C17H14N2O7S MolecularWeight: 390.36726

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1)[N+](=O)[O-])NC(=O)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H14N2O7S/c1-2-24-17(21)11-8-15(19(22)23)27-16(11)18-14(20)6-4-10-3-5-12-13(7-10)26-9-25-12/h3-8H,2,9H2,1H3,(H,18,20)/b6-4+