methyl 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate

Systemtic Name: methyl 2-[(2-chloranyl-4-nitro-phenyl)carbonylamino]-5-methyl-4-phenyl-thiophene-3-carboxylate Openeye Name: methyl 2-[(2-chloro-4-nitro-benzoyl)amino]-5-methyl-4-phenyl-thiophene-3-carboxylate CAS Name: 2-[[(2-chloro-4-nitrophenyl)-oxomethyl]amino]-5-methyl-4-phenyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-chloro-4-nitrobenzoyl)amino]-5-methyl-4-phenylthiophene-3-carboxylate Traditional Name: 2-[(2-chloro-4-nitro-benzoyl)amino]-5-methyl-4-phenyl-thiophene-3-carboxylic acid methyl ester Formula: C20H15ClN2O5S MolecularWeight: 430.8615

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(S1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=C(S1)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C20H15ClN2O5S/c1-11-16(12-6-4-3-5-7-12)17(20(25)28-2)19(29-11)22-18(24)14-9-8-13(23(26)27)10-15(14)21/h3-10H,1-2H3,(H,22,24)