tert-butyl N-[4-(3-nitro-5-phenylazanyl-phenyl)pyridin-2-yl]carbamate

Systemtic Name: tert-butyl N-[4-(3-nitro-5-phenylazanyl-phenyl)pyridin-2-yl]carbamate Openeye Name: tert-butyl N-[4-(3-anilino-5-nitro-phenyl)-2-pyridyl]carbamate CAS Name: N-[4-(3-anilino-5-nitrophenyl)-2-pyridinyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[4-(3-anilino-5-nitrophenyl)pyridin-2-yl]carbamate Traditional Name: N-[4-(3-anilino-5-nitro-phenyl)-2-pyridyl]carbamic acid tert-butyl ester Formula: C22H22N4O4 MolecularWeight: 406.43448

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=NC=CC(=C1)C2=CC(=CC(=C2)[N+](=O)[O-])NC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)NC1=NC=CC(=C1)C2=CC(=CC(=C2)[N+](=O)[O-])NC3=CC=CC=C3

InChI

InChI=1S/C22H22N4O4/c1-22(2,3)30-21(27)25-20-13-15(9-10-23-20)16-11-18(14-19(12-16)26(28)29)24-17-7-5-4-6-8-17/h4-14,24H,1-3H3,(H,23,25,27)