methyl 2-[[(Z)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]thiophene-3-carboxylate

Systemtic Name: methyl 2-[[(Z)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: methyl 2-[[(Z)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(Z)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(Z)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(Z)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)acryloyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C17H11N3O7S MolecularWeight: 401.35014

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11N3O7S/c1-25-17(22)11-2-3-28-16(11)19-15(21)10(7-18)4-9-5-13-14(27-8-26-13)6-12(9)20(23)24/h2-6H,8H2,1H3,(H,19,21)/b10-4-