tert-butyl N-[[(E)-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamate

Systemtic Name: tert-butyl N-[[(E)-(3-nitro-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamate Openeye Name: tert-butyl N-[[(E)-(3-nitro-6-oxo-cyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamate CAS Name: N-[[(E)-(3-nitro-6-oxo-1-cyclohexa-2,4-dienylidene)methyl]amino]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[[(E)-(3-nitro-6-oxocyclohexa-2,4-dien-1-ylidene)methyl]amino]carbamate Traditional Name: N-[[(E)-(6-keto-3-nitro-cyclohexa-2,4-dien-1-ylidene)methyl]amino]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=C(C=CC1=O)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NN/C=C/1\C=C(C=CC1=O)[N+](=O)[O-]

InChI

InChI=1S/C12H15N3O5/c1-12(2,3)20-11(17)14-13-7-8-6-9(15(18)19)4-5-10(8)16/h4-7,13H,1-3H3,(H,14,17)/b8-7+