(2-oxidanylidene-2-phenylazanyl-ethyl) 3-[(4-nitrophenyl)carbonylamino]propanoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 3-[(4-nitrophenyl)carbonylamino]propanoate Openeye Name: (2-anilino-2-oxo-ethyl) 3-[(4-nitrobenzoyl)amino]propanoate CAS Name: 3-[[(4-nitrophenyl)-oxomethyl]amino]propanoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 3-[(4-nitrobenzoyl)amino]propanoate Traditional Name: 3-[(4-nitrobenzoyl)amino]propionic acid (2-anilino-2-keto-ethyl) ester Formula: C18H17N3O6 MolecularWeight: 371.34408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)COC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)COC(=O)CCNC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O6/c22-16(20-14-4-2-1-3-5-14)12-27-17(23)10-11-19-18(24)13-6-8-15(9-7-13)21(25)26/h1-9H,10-12H2,(H,19,24)(H,20,22)