methyl 2-isocyanatosulfonyl-4-nitro-benzoate

Systemtic Name: methyl 2-isocyanatosulfonyl-4-nitro-benzoate Openeye Name: methyl 2-isocyanatosulfonyl-4-nitro-benzoate CAS Name: 2-isocyanatosulfonyl-4-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-isocyanatosulfonyl-4-nitrobenzoate Traditional Name: 2-isocyanatosulfonyl-4-nitro-benzoic acid methyl ester Formula: C9H6N2O7S MolecularWeight: 286.21814

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N=C=O

Isomeric SMILES

COC(=O)C1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)N=C=O

InChI

InChI=1S/C9H6N2O7S/c1-18-9(13)7-3-2-6(11(14)15)4-8(7)19(16,17)10-5-12/h2-4H,1H3