tert-butyl N-[(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]carbamate

Systemtic Name: tert-butyl N-[(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]carbamate Openeye Name: tert-butyl N-[(3-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]carbamate CAS Name: N-[(3-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]carbamate Traditional Name: N-[(4-keto-3-nitro-cyclohexa-2,5-dien-1-ylidene)methylamino]carbamic acid tert-butyl ester Formula: C12H15N3O5 MolecularWeight: 281.2646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NNC=C1C=CC(=O)C(=C1)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NNC=C1C=CC(=O)C(=C1)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O5/c1-12(2,3)20-11(17)14-13-7-8-4-5-10(16)9(6-8)15(18)19/h4-7,13H,1-3H3,(H,14,17)