ethyl 3-[[3-[(3-ethoxy-3-oxidanylidene-propyl)carbamoyl]-5-nitro-phenyl]carbonylamino]propanoate

Systemtic Name: ethyl 3-[[3-[(3-ethoxy-3-oxidanylidene-propyl)carbamoyl]-5-nitro-phenyl]carbonylamino]propanoate Openeye Name: ethyl 3-[[3-[(3-ethoxy-3-oxo-propyl)carbamoyl]-5-nitro-benzoyl]amino]propanoate CAS Name: 3-[[[3-[[(3-ethoxy-3-oxopropyl)amino]-oxomethyl]-5-nitrophenyl]-oxomethyl]amino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[[3-[(3-ethoxy-3-oxopropyl)carbamoyl]-5-nitrobenzoyl]amino]propanoate Traditional Name: 3-[[3-[(3-ethoxy-3-keto-propyl)carbamoyl]-5-nitro-benzoyl]amino]propionic acid ethyl ester Formula: C18H23N3O8 MolecularWeight: 409.39052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCCC(=O)OCC

Isomeric SMILES

CCOC(=O)CCNC(=O)C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NCCC(=O)OCC

InChI

InChI=1S/C18H23N3O8/c1-3-28-15(22)5-7-19-17(24)12-9-13(11-14(10-12)21(26)27)18(25)20-8-6-16(23)29-4-2/h9-11H,3-8H2,1-2H3,(H,19,24)(H,20,25)