4-[(3-nitrophenyl)amino]-4-sulfanylidene-butanoic acid

Systemtic Name: 4-[(3-nitrophenyl)amino]-4-sulfanylidene-butanoic acid Openeye Name: 4-(3-nitroanilino)-4-thioxo-butanoic acid CAS Name: 4-(3-nitroanilino)-4-sulfanylidenebutanoic acid IUPAC Name: 4-(3-nitroanilino)-4-sulfanylidenebutanoic acid Traditional Name: 4-(3-nitroanilino)-4-thioxo-butyric acid Formula: C10H10N2O4S MolecularWeight: 254.2624

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)CCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])NC(=S)CCC(=O)O

InChI

InChI=1S/C10H10N2O4S/c13-10(14)5-4-9(17)11-7-2-1-3-8(6-7)12(15)16/h1-3,6H,4-5H2,(H,11,17)(H,13,14)