(phenylmethyl) N-[2,6-bis(azanyl)hexanoyl]-N-(4-nitrophenyl)carbamate

Systemtic Name: (phenylmethyl) N-[2,6-bis(azanyl)hexanoyl]-N-(4-nitrophenyl)carbamate Openeye Name: benzyl N-(2,6-diaminohexanoyl)-N-(4-nitrophenyl)carbamate CAS Name: N-(2,6-diamino-1-oxohexyl)-N-(4-nitrophenyl)carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-(2,6-diaminohexanoyl)-N-(4-nitrophenyl)carbamate Traditional Name: N-(2,6-diaminohexanoyl)-N-(4-nitrophenyl)carbamic acid benzyl ester Formula: C20H24N4O5 MolecularWeight: 400.42836

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C(CCCCN)N

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C(CCCCN)N

InChI

InChI=1S/C20H24N4O5/c21-13-5-4-8-18(22)19(25)23(16-9-11-17(12-10-16)24(27)28)20(26)29-14-15-6-2-1-3-7-15/h1-3,6-7,9-12,18H,4-5,8,13-14,21-22H2