tert-butyl 5-nitro-2,3-bis(oxidanylidene)indole-1-carboxylate

Systemtic Name: tert-butyl 5-nitro-2,3-bis(oxidanylidene)indole-1-carboxylate Openeye Name: tert-butyl 5-nitro-2,3-dioxo-indoline-1-carboxylate CAS Name: 5-nitro-2,3-dioxo-1-indolecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5-nitro-2,3-dioxoindole-1-carboxylate Traditional Name: 2,3-diketo-5-nitro-indoline-1-carboxylic acid tert-butyl ester Formula: C13H12N2O6 MolecularWeight: 292.24418

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C1=O

Isomeric SMILES

CC(C)(C)OC(=O)N1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C1=O

InChI

InChI=1S/C13H12N2O6/c1-13(2,3)21-12(18)14-9-5-4-7(15(19)20)6-8(9)10(16)11(14)17/h4-6H,1-3H3