tert-butyl N-[5-[(3-nitrocyclohexa-1,3-dien-1-yl)methyl]pyridin-2-yl]carbamate

Systemtic Name: tert-butyl N-[5-[(3-nitrocyclohexa-1,3-dien-1-yl)methyl]pyridin-2-yl]carbamate Openeye Name: tert-butyl N-[5-[(3-nitrocyclohexa-1,3-dien-1-yl)methyl]-2-pyridyl]carbamate CAS Name: N-[5-[(3-nitro-1-cyclohexa-1,3-dienyl)methyl]-2-pyridinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[5-[(3-nitrocyclohexa-1,3-dien-1-yl)methyl]pyridin-2-yl]carbamate Traditional Name: N-[5-[(3-nitrocyclohexa-1,3-dien-1-yl)methyl]-2-pyridyl]carbamic acid tert-butyl ester Formula: C17H21N3O4 MolecularWeight: 331.36634

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=NC=C(C=C1)CC2=CC(=CCC2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)NC1=NC=C(C=C1)CC2=CC(=CCC2)[N+](=O)[O-]

InChI

InChI=1S/C17H21N3O4/c1-17(2,3)24-16(21)19-15-8-7-13(11-18-15)9-12-5-4-6-14(10-12)20(22)23/h6-8,10-11H,4-5,9H2,1-3H3,(H,18,19,21)