methyl 2-nitrobenzoate; morpholine-4-sulfinic acid

Systemtic Name: methyl 2-nitrobenzoate; morpholine-4-sulfinic acid Openeye Name: methyl 2-nitrobenzoate; morpholine-4-sulfinic acid CAS Name: 4-morpholinesulfinic acid; 2-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-nitrobenzoate; morpholine-4-sulfinic acid Traditional Name: morpholine-4-sulfinic acid; 2-nitrobenzoic acid methyl ester Formula: C12H16N2O7S MolecularWeight: 332.32964

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1[N+](=O)[O-].C1COCCN1S(=O)O

Isomeric SMILES

COC(=O)C1=CC=CC=C1[N+](=O)[O-].C1COCCN1S(=O)O

InChI

InChI=1S/C8H7NO4.C4H9NO3S/c1-13-8(10)6-4-2-3-5-7(6)9(11)12;6-9(7)5-1-3-8-4-2-5/h2-5H,1H3;1-4H2,(H,6,7)