(4-methylpiperazin-1-yl)-[5-nitro-6,7-bis(oxidanyl)naphthalen-2-yl]methanone

Systemtic Name: (4-methylpiperazin-1-yl)-[5-nitro-6,7-bis(oxidanyl)naphthalen-2-yl]methanone Openeye Name: (6,7-dihydroxy-5-nitro-2-naphthyl)-(4-methylpiperazin-1-yl)methanone CAS Name: (6,7-dihydroxy-5-nitro-2-naphthalenyl)-(4-methyl-1-piperazinyl)methanone IUPAC Name: (6,7-dihydroxy-5-nitronaphthalen-2-yl)-(4-methylpiperazin-1-yl)methanone Traditional Name: (6,7-dihydroxy-5-nitro-2-naphthyl)-(4-methylpiperazino)methanone Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC3=CC(=C(C(=C3C=C2)[N+](=O)[O-])O)O

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC3=CC(=C(C(=C3C=C2)[N+](=O)[O-])O)O

InChI

InChI=1S/C16H17N3O5/c1-17-4-6-18(7-5-17)16(22)10-2-3-12-11(8-10)9-13(20)15(21)14(12)19(23)24/h2-3,8-9,20-21H,4-7H2,1H3