6-[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-thiomorpholine-3-carboxylic acid

Systemtic Name: 6-[2-[(4-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-5-oxidanylidene-thiomorpholine-3-carboxylic acid Openeye Name: 6-[2-(4-methoxy-2-nitro-anilino)-2-oxo-ethyl]-5-oxo-thiomorpholine-3-carboxylic acid CAS Name: 6-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-5-oxo-3-thiomorpholinecarboxylic acid IUPAC Name: 6-[2-(4-methoxy-2-nitroanilino)-2-oxoethyl]-5-oxothiomorpholine-3-carboxylic acid Traditional Name: 5-keto-6-[2-keto-2-(4-methoxy-2-nitro-anilino)ethyl]thiomorpholine-3-carboxylic acid Formula: C14H15N3O7S MolecularWeight: 369.3498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15N3O7S/c1-24-7-2-3-8(10(4-7)17(22)23)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)