dimethyl 5-azanyl-3-[[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]oxymethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[[(E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoyl]oxymethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[(E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoyl]oxymethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(E)-3-(4-chloro-3-nitrophenyl)-1-oxoprop-2-enoxy]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[(E)-3-(4-chloro-3-nitrophenyl)prop-2-enoyl]oxymethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(E)-3-(4-chloro-3-nitro-phenyl)acryloyl]oxymethyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H15ClN2O8S MolecularWeight: 454.8383

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC(=C1COC(=O)C=CC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OC)N

Isomeric SMILES

COC(=O)C1=C(SC(=C1COC(=O)/C=C/C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C(=O)OC)N

InChI

InChI=1S/C18H15ClN2O8S/c1-27-17(23)14-10(15(18(24)28-2)30-16(14)20)8-29-13(22)6-4-9-3-5-11(19)12(7-9)21(25)26/h3-7H,8,20H2,1-2H3/b6-4+