[(4-nitrophenyl)-phenylmethoxycarbonyl-amino] butanoate

Systemtic Name: [(4-nitrophenyl)-phenylmethoxycarbonyl-amino] butanoate Openeye Name: (N-benzyloxycarbonyl-4-nitro-anilino) butanoate CAS Name: butanoic acid (4-nitro-N-phenylmethoxycarbonylanilino) ester IUPAC Name: (4-nitro-N-phenylmethoxycarbonylanilino) butanoate Traditional Name: butyric acid (N-carbobenzoxy-4-nitro-anilino) ester Formula: C18H18N2O6 MolecularWeight: 358.34532

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)ON(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CCCC(=O)ON(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C18H18N2O6/c1-2-6-17(21)26-19(15-9-11-16(12-10-15)20(23)24)18(22)25-13-14-7-4-3-5-8-14/h3-5,7-12H,2,6,13H2,1H3