methyl 2-isocyanatosulfonyl-4-[(2-methoxy-2-oxidanylidene-ethyl)amino]benzoate

Systemtic Name: methyl 2-isocyanatosulfonyl-4-[(2-methoxy-2-oxidanylidene-ethyl)amino]benzoate Openeye Name: methyl 2-isocyanatosulfonyl-4-[(2-methoxy-2-oxo-ethyl)amino]benzoate CAS Name: 2-isocyanatosulfonyl-4-[(2-methoxy-2-oxoethyl)amino]benzoic acid methyl ester IUPAC Name: methyl 2-isocyanatosulfonyl-4-[(2-methoxy-2-oxoethyl)amino]benzoate Traditional Name: 2-isocyanatosulfonyl-4-[(2-keto-2-methoxy-ethyl)amino]benzoic acid methyl ester Formula: C12H12N2O7S MolecularWeight: 328.29788

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CNC1=CC(=C(C=C1)C(=O)OC)S(=O)(=O)N=C=O

Isomeric SMILES

COC(=O)CNC1=CC(=C(C=C1)C(=O)OC)S(=O)(=O)N=C=O

InChI

InChI=1S/C12H12N2O7S/c1-20-11(16)6-13-8-3-4-9(12(17)21-2)10(5-8)22(18,19)14-7-15/h3-5,13H,6H2,1-2H3