4,5-dihydro-1,3-thiazol-2-amine; 4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4,5-dihydro-1,3-thiazol-2-amine; 4-[(3-nitrophenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4,5-dihydrothiazol-2-amine; 4-(3-nitroanilino)-4-oxo-butanoic acid CAS Name: 4,5-dihydrothiazol-2-amine; 4-(3-nitroanilino)-4-oxobutanoic acid IUPAC Name: 4,5-dihydro-1,3-thiazol-2-amine; 4-(3-nitroanilino)-4-oxobutanoic acid Traditional Name: 4-keto-4-(3-nitroanilino)butyric acid; 2-thiazolin-2-ylamine Formula: C13H16N4O5S MolecularWeight: 340.35494

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC(=N1)N.C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CCC(=O)O

Isomeric SMILES

C1CSC(=N1)N.C1=CC(=CC(=C1)[N+](=O)[O-])NC(=O)CCC(=O)O

InChI

InChI=1S/C10H10N2O5.C3H6N2S/c13-9(4-5-10(14)15)11-7-2-1-3-8(6-7)12(16)17;4-3-5-1-2-6-3/h1-3,6H,4-5H2,(H,11,13)(H,14,15);1-2H2,(H2,4,5)