6-[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-thiomorpholine-3-carboxylic acid

Systemtic Name: 6-[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-thiomorpholine-3-carboxylic acid Openeye Name: 6-[2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl]-5-oxo-thiomorpholine-3-carboxylic acid CAS Name: 6-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-5-oxo-3-thiomorpholinecarboxylic acid IUPAC Name: 6-[2-(2-methoxy-5-nitroanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylic acid Traditional Name: 5-keto-6-[2-keto-2-(2-methoxy-5-nitro-anilino)ethyl]thiomorpholine-3-carboxylic acid Formula: C14H15N3O7S MolecularWeight: 369.3498

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC2C(=O)NC(CS2)C(=O)O

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)CC2C(=O)NC(CS2)C(=O)O

InChI

InChI=1S/C14H15N3O7S/c1-24-10-3-2-7(17(22)23)4-8(10)15-12(18)5-11-13(19)16-9(6-25-11)14(20)21/h2-4,9,11H,5-6H2,1H3,(H,15,18)(H,16,19)(H,20,21)