N-[1-[2-[3,4-bis(oxidanyl)phenyl]ethylamino]-1-oxidanylidene-3-phenylmethoxy-propan-2-yl]-3-nitro-4-oxidanyl-benzamide

Systemtic Name: N-[1-[2-[3,4-bis(oxidanyl)phenyl]ethylamino]-1-oxidanylidene-3-phenylmethoxy-propan-2-yl]-3-nitro-4-oxidanyl-benzamide Openeye Name: N-[1-(benzyloxymethyl)-2-[2-(3,4-dihydroxyphenyl)ethylamino]-2-oxo-ethyl]-4-hydroxy-3-nitro-benzamide CAS Name: N-[1-[2-(3,4-dihydroxyphenyl)ethylamino]-1-oxo-3-phenylmethoxypropan-2-yl]-4-hydroxy-3-nitrobenzamide IUPAC Name: N-[1-[2-(3,4-dihydroxyphenyl)ethylamino]-1-oxo-3-phenylmethoxypropan-2-yl]-4-hydroxy-3-nitrobenzamide Traditional Name: N-[1-(benzoxymethyl)-2-[2-(3,4-dihydroxyphenyl)ethylamino]-2-keto-ethyl]-4-hydroxy-3-nitro-benzamide Formula: C25H25N3O8 MolecularWeight: 495.4813

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COCC(C(=O)NCCC2=CC(=C(C=C2)O)O)NC(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)COCC(C(=O)NCCC2=CC(=C(C=C2)O)O)NC(=O)C3=CC(=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C25H25N3O8/c29-21-9-7-18(13-20(21)28(34)35)24(32)27-19(15-36-14-17-4-2-1-3-5-17)25(33)26-11-10-16-6-8-22(30)23(31)12-16/h1-9,12-13,19,29-31H,10-11,14-15H2,(H,26,33)(H,27,32)