(phenylmethyl) N-[(2R)-6-azanyl-1-[(4-nitrophenyl)amino]-1-oxidanylidene-hexan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[(2R)-6-azanyl-1-[(4-nitrophenyl)amino]-1-oxidanylidene-hexan-2-yl]carbamate Openeye Name: benzyl N-[(1R)-5-amino-1-[(4-nitrophenyl)carbamoyl]pentyl]carbamate CAS Name: N-[(2R)-6-amino-1-(4-nitroanilino)-1-oxohexan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2R)-6-amino-1-(4-nitroanilino)-1-oxohexan-2-yl]carbamate Traditional Name: N-[(1R)-5-amino-1-[(4-nitrophenyl)carbamoyl]pentyl]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)NC(CCCCN)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N[C@H](CCCCN)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H24N4O5/c21-13-5-4-8-18(23-20(26)29-14-15-6-2-1-3-7-15)19(25)22-16-9-11-17(12-10-16)24(27)28/h1-3,6-7,9-12,18H,4-5,8,13-14,21H2,(H,22,25)(H,23,26)/t18-/m1/s1