1-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-[(phenylmethyl)amino]propan-1-one

Systemtic Name: 1-[3-nitro-4,5-bis(oxidanyl)phenyl]-2-[(phenylmethyl)amino]propan-1-one Openeye Name: 2-(benzylamino)-1-(3,4-dihydroxy-5-nitro-phenyl)propan-1-one CAS Name: 1-(3,4-dihydroxy-5-nitrophenyl)-2-[(phenylmethyl)amino]-1-propanone IUPAC Name: 2-(benzylamino)-1-(3,4-dihydroxy-5-nitrophenyl)propan-1-one Traditional Name: 2-(benzylamino)-1-(3,4-dihydroxy-5-nitro-phenyl)propan-1-one Formula: C16H16N2O5 MolecularWeight: 316.30864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC(=C(C(=C1)O)O)[N+](=O)[O-])NCC2=CC=CC=C2

Isomeric SMILES

CC(C(=O)C1=CC(=C(C(=C1)O)O)[N+](=O)[O-])NCC2=CC=CC=C2

InChI

InChI=1S/C16H16N2O5/c1-10(17-9-11-5-3-2-4-6-11)15(20)12-7-13(18(22)23)16(21)14(19)8-12/h2-8,10,17,19,21H,9H2,1H3