ethyl 5-azanyl-3-[[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]oxymethyl]-4-cyano-thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-3-[[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]oxymethyl]-4-cyano-thiophene-2-carboxylate Openeye Name: ethyl 5-amino-3-[[(E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoyl]oxymethyl]-4-cyano-thiophene-2-carboxylate CAS Name: 5-amino-3-[[(E)-3-(4-chloro-3-nitrophenyl)-1-oxoprop-2-enoxy]methyl]-4-cyano-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-3-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]oxymethyl]-4-cyanothiophene-2-carboxylate Traditional Name: 5-amino-3-[[(E)-3-(4-chloro-3-nitro-phenyl)acryloyl]oxymethyl]-4-cyano-thiophene-2-carboxylic acid ethyl ester Formula: C18H14ClN3O6S MolecularWeight: 435.83826

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)COC(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C18H14ClN3O6S/c1-2-27-18(24)16-12(11(8-20)17(21)29-16)9-28-15(23)6-4-10-3-5-13(19)14(7-10)22(25)26/h3-7H,2,9,21H2,1H3/b6-4+