propan-2-yl 2-isocyanatosulfonyl-4-nitro-benzoate

Systemtic Name: propan-2-yl 2-isocyanatosulfonyl-4-nitro-benzoate Openeye Name: isopropyl 2-isocyanatosulfonyl-4-nitro-benzoate CAS Name: 2-isocyanatosulfonyl-4-nitrobenzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-isocyanatosulfonyl-4-nitrobenzoate Traditional Name: 2-isocyanatosulfonyl-4-nitro-benzoic acid isopropyl ester Formula: C11H10N2O7S MolecularWeight: 314.2713

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H10N2O7S/c1-7(2)20-11(15)9-4-3-8(13(16)17)5-10(9)21(18,19)12-6-14/h3-5,7H,1-2H3