(phenylmethyl) N-[6-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-6-oxidanylidene-hexyl]carbamate

Systemtic Name: (phenylmethyl) N-[6-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-6-oxidanylidene-hexyl]carbamate Openeye Name: benzyl N-[6-[2-[(5-nitro-2-pyridyl)amino]ethylamino]-6-oxo-hexyl]carbamate CAS Name: N-[6-[2-[(5-nitro-2-pyridinyl)amino]ethylamino]-6-oxohexyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[6-[2-[(5-nitropyridin-2-yl)amino]ethylamino]-6-oxohexyl]carbamate Traditional Name: N-[6-keto-6-[2-[(5-nitro-2-pyridyl)amino]ethylamino]hexyl]carbamic acid benzyl ester Formula: C21H27N5O5 MolecularWeight: 429.46958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NCCCCCC(=O)NCCNC2=NC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NCCCCCC(=O)NCCNC2=NC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H27N5O5/c27-20(23-14-13-22-19-11-10-18(15-25-19)26(29)30)9-5-2-6-12-24-21(28)31-16-17-7-3-1-4-8-17/h1,3-4,7-8,10-11,15H,2,5-6,9,12-14,16H2,(H,22,25)(H,23,27)(H,24,28)