tert-butyl N-[(3-chloranyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamate

Systemtic Name: tert-butyl N-[(3-chloranyl-5-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamate Openeye Name: tert-butyl N-[(3-chloro-5-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamate CAS Name: N-[(3-chloro-5-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methylamino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(3-chloro-5-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methylamino]carbamate Traditional Name: N-[(3-chloro-6-keto-5-nitro-cyclohexa-2,4-dien-1-ylidene)methylamino]carbamic acid tert-butyl ester Formula: C12H14ClN3O5 MolecularWeight: 315.70966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14ClN3O5/c1-12(2,3)21-11(18)15-14-6-7-4-8(13)5-9(10(7)17)16(19)20/h4-6,14H,1-3H3,(H,15,18)