2-(butanoylamino)-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylic acid

Systemtic Name: 2-(butanoylamino)-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylic acid Openeye Name: 2-(butanoylamino)-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylic acid CAS Name: 4-methyl-5-[(3-nitroanilino)-oxomethyl]-2-(1-oxobutylamino)-3-thiophenecarboxylic acid IUPAC Name: 2-(butanoylamino)-4-methyl-5-[(3-nitrophenyl)carbamoyl]thiophene-3-carboxylic acid Traditional Name: 2-butyramido-4-methyl-5-[(3-nitrophenyl)carbamoyl]-3-thenoic acid Formula: C17H17N3O6S MolecularWeight: 391.39838

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=C(C(=C(S1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C)C(=O)O

Isomeric SMILES

CCCC(=O)NC1=C(C(=C(S1)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C)C(=O)O

InChI

InChI=1S/C17H17N3O6S/c1-3-5-12(21)19-16-13(17(23)24)9(2)14(27-16)15(22)18-10-6-4-7-11(8-10)20(25)26/h4,6-8H,3,5H2,1-2H3,(H,18,22)(H,19,21)(H,23,24)