(phenylmethyl) N-[(2S,3R)-3-[(4-nitrophenyl)amino]-2-propyl-pentyl]carbamate

Systemtic Name: (phenylmethyl) N-[(2S,3R)-3-[(4-nitrophenyl)amino]-2-propyl-pentyl]carbamate Openeye Name: benzyl N-[(2S,3R)-3-(4-nitroanilino)-2-propyl-pentyl]carbamate CAS Name: N-[(2S,3R)-3-(4-nitroanilino)-2-propylpentyl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[(2S,3R)-3-(4-nitroanilino)-2-propylpentyl]carbamate Traditional Name: N-[(2S,3R)-3-(4-nitroanilino)-2-propyl-pentyl]carbamic acid benzyl ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(CNC(=O)OCC1=CC=CC=C1)C(CC)NC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCC[C@@H](CNC(=O)OCC1=CC=CC=C1)[C@@H](CC)NC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H29N3O4/c1-3-8-18(15-23-22(26)29-16-17-9-6-5-7-10-17)21(4-2)24-19-11-13-20(14-12-19)25(27)28/h5-7,9-14,18,21,24H,3-4,8,15-16H2,1-2H3,(H,23,26)/t18-,21+/m0/s1