[2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(aminocarbonylamino)-3-phenyl-propanoate

Systemtic Name: [2-[(4-chloranyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [2-(4-chloro-3-nitro-anilino)-2-oxo-ethyl] 3-phenyl-3-ureido-propanoate CAS Name: 3-(carbamoylamino)-3-phenylpropanoic acid [2-(4-chloro-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-chloro-3-nitroanilino)-2-oxoethyl] 3-(carbamoylamino)-3-phenylpropanoate Traditional Name: 3-phenyl-3-ureido-propionic acid [2-(4-chloro-3-nitro-anilino)-2-keto-ethyl] ester Formula: C18H17ClN4O6 MolecularWeight: 420.80378

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CC(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])NC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C(CC(=O)OCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])NC(=O)N

InChI

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