(4-aminocarbonyl-2-nitro-phenyl)methyl 3-(aminocarbonylamino)-3-(4-chlorophenyl)propanoate

Systemtic Name: (4-aminocarbonyl-2-nitro-phenyl)methyl 3-(aminocarbonylamino)-3-(4-chlorophenyl)propanoate Openeye Name: (4-carbamoyl-2-nitro-phenyl)methyl 3-(4-chlorophenyl)-3-ureido-propanoate CAS Name: 3-(carbamoylamino)-3-(4-chlorophenyl)propanoic acid (4-carbamoyl-2-nitrophenyl)methyl ester IUPAC Name: (4-carbamoyl-2-nitrophenyl)methyl 3-(carbamoylamino)-3-(4-chlorophenyl)propanoate Traditional Name: 3-(4-chlorophenyl)-3-ureido-propionic acid (4-carbamoyl-2-nitro-benzyl) ester Formula: C18H17ClN4O6 MolecularWeight: 420.80378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(CC(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])NC(=O)N)Cl

Isomeric SMILES

C1=CC(=CC=C1C(CC(=O)OCC2=C(C=C(C=C2)C(=O)N)[N+](=O)[O-])NC(=O)N)Cl

InChI

InChI=1S/C18H17ClN4O6/c19-13-5-3-10(4-6-13)14(22-18(21)26)8-16(24)29-9-12-2-1-11(17(20)25)7-15(12)23(27)28/h1-7,14H,8-9H2,(H2,20,25)(H3,21,22,26)