tert-butyl N-[3-[(3-nitrophenyl)carbamoylamino]propyl]-N-(pyridin-3-ylmethyl)carbamate

Systemtic Name: tert-butyl N-[3-[(3-nitrophenyl)carbamoylamino]propyl]-N-(pyridin-3-ylmethyl)carbamate Openeye Name: tert-butyl N-[3-[(3-nitrophenyl)carbamoylamino]propyl]-N-(3-pyridylmethyl)carbamate CAS Name: N-[3-[[(3-nitroanilino)-oxomethyl]amino]propyl]-N-(3-pyridinylmethyl)carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[3-[(3-nitrophenyl)carbamoylamino]propyl]-N-(pyridin-3-ylmethyl)carbamate Traditional Name: N-[3-[(3-nitrophenyl)carbamoylamino]propyl]-N-(3-pyridylmethyl)carbamic acid tert-butyl ester Formula: C21H27N5O5 MolecularWeight: 429.46958

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N(CCCNC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])CC2=CN=CC=C2

Isomeric SMILES

CC(C)(C)OC(=O)N(CCCNC(=O)NC1=CC(=CC=C1)[N+](=O)[O-])CC2=CN=CC=C2

InChI

InChI=1S/C21H27N5O5/c1-21(2,3)31-20(28)25(15-16-7-5-10-22-14-16)12-6-11-23-19(27)24-17-8-4-9-18(13-17)26(29)30/h4-5,7-10,13-14H,6,11-12,15H2,1-3H3,(H2,23,24,27)