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

Systemtic Name: ethyl 2-[[(E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]thiophene-3-carboxylate Openeye Name: ethyl 2-[[(E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]thiophene-3-carboxylate CAS Name: 2-[[(E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)-1-oxoprop-2-enyl]amino]-3-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[[(E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)prop-2-enoyl]amino]thiophene-3-carboxylate Traditional Name: 2-[[(E)-2-cyano-3-(6-nitro-1,3-benzodioxol-5-yl)acryloyl]amino]thiophene-3-carboxylic acid ethyl ester Formula: C18H13N3O7S MolecularWeight: 415.37672

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H13N3O7S/c1-2-26-18(23)12-3-4-29-17(12)20-16(22)11(8-19)5-10-6-14-15(28-9-27-14)7-13(10)21(24)25/h3-7H,2,9H2,1H3,(H,20,22)/b11-5+