(4-nitrophenyl) 2-[2-(2-methylprop-2-enoylamino)ethanoylamino]-3-phenyl-propanoate

Systemtic Name: (4-nitrophenyl) 2-[2-(2-methylprop-2-enoylamino)ethanoylamino]-3-phenyl-propanoate Openeye Name: (4-nitrophenyl) 2-[[2-(2-methylprop-2-enoylamino)acetyl]amino]-3-phenyl-propanoate CAS Name: 2-[[2-[(2-methyl-1-oxoprop-2-enyl)amino]-1-oxoethyl]amino]-3-phenylpropanoic acid (4-nitrophenyl) ester IUPAC Name: (4-nitrophenyl) 2-[[2-(2-methylprop-2-enoylamino)acetyl]amino]-3-phenylpropanoate Traditional Name: 2-[(2-methacrylamidoacetyl)amino]-3-phenyl-propionic acid (4-nitrophenyl) ester Formula: C21H21N3O6 MolecularWeight: 411.40794

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CC(=C)C(=O)NCC(=O)NC(CC1=CC=CC=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H21N3O6/c1-14(2)20(26)22-13-19(25)23-18(12-15-6-4-3-5-7-15)21(27)30-17-10-8-16(9-11-17)24(28)29/h3-11,18H,1,12-13H2,2H3,(H,22,26)(H,23,25)