[1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(aminocarbonylamino)-3-phenyl-propanoate

Systemtic Name: [1-[(4-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 3-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [1-methyl-2-(4-nitroanilino)-2-oxo-ethyl] 3-phenyl-3-ureido-propanoate CAS Name: 3-(carbamoylamino)-3-phenylpropanoic acid [1-(4-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-nitroanilino)-1-oxopropan-2-yl] 3-(carbamoylamino)-3-phenylpropanoate Traditional Name: 3-phenyl-3-ureido-propionic acid [2-keto-1-methyl-2-(4-nitroanilino)ethyl] ester Formula: C19H20N4O6 MolecularWeight: 400.3853

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)CC(C2=CC=CC=C2)NC(=O)N

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)[N+](=O)[O-])OC(=O)CC(C2=CC=CC=C2)NC(=O)N

InChI

InChI=1S/C19H20N4O6/c1-12(18(25)21-14-7-9-15(10-8-14)23(27)28)29-17(24)11-16(22-19(20)26)13-5-3-2-4-6-13/h2-10,12,16H,11H2,1H3,(H,21,25)(H3,20,22,26)