2-[butoxycarbonyl-(4-nitrophenyl)amino]propanoate

Systemtic Name: 2-[butoxycarbonyl-(4-nitrophenyl)amino]propanoate Openeye Name: 2-(N-butoxycarbonyl-4-nitro-anilino)propanoate CAS Name: 2-(N-[butoxy(oxo)methyl]-4-nitroanilino)propanoate IUPAC Name: 2-(N-butoxycarbonyl-4-nitroanilino)propanoate Traditional Name: 2-(N-butoxycarbonyl-4-nitro-anilino)propionate Formula: C14H17N2O6- MolecularWeight: 309.29458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)N(C1=CC=C(C=C1)[N+](=O)[O-])C(C)C(=O)[O-]

Isomeric SMILES

CCCCOC(=O)N(C1=CC=C(C=C1)[N+](=O)[O-])C(C)C(=O)[O-]

InChI

InChI=1S/C14H18N2O6/c1-3-4-9-22-14(19)15(10(2)13(17)18)11-5-7-12(8-6-11)16(20)21/h5-8,10H,3-4,9H2,1-2H3,(H,17,18)/p-1