(phenylmethyl) N-[3-methyl-1-[[1-(4-nitrophenyl)-3-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate

Systemtic Name: (phenylmethyl) N-[3-methyl-1-[[1-(4-nitrophenyl)-3-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-butan-2-yl]carbamate Openeye Name: benzyl N-[1-[[1-formyl-2-(4-nitrophenyl)ethyl]carbamoyl]-2-methyl-propyl]carbamate CAS Name: N-[3-methyl-1-[[1-(4-nitrophenyl)-3-oxopropan-2-yl]amino]-1-oxobutan-2-yl]carbamic acid (phenylmethyl) ester IUPAC Name: benzyl N-[3-methyl-1-[[1-(4-nitrophenyl)-3-oxopropan-2-yl]amino]-1-oxobutan-2-yl]carbamate Traditional Name: N-[1-[[1-formyl-2-(4-nitrophenyl)ethyl]carbamoyl]-2-methyl-propyl]carbamic acid benzyl ester Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C=O)NC(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(C)C(C(=O)NC(CC1=CC=C(C=C1)[N+](=O)[O-])C=O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C22H25N3O6/c1-15(2)20(24-22(28)31-14-17-6-4-3-5-7-17)21(27)23-18(13-26)12-16-8-10-19(11-9-16)25(29)30/h3-11,13,15,18,20H,12,14H2,1-2H3,(H,23,27)(H,24,28)