4-(4-methylpiperazin-4-ium-1-yl)-3,6-dinitro-chromen-2-one

Systemtic Name: 4-(4-methylpiperazin-4-ium-1-yl)-3,6-dinitro-chromen-2-one Openeye Name: 4-(4-methylpiperazin-4-ium-1-yl)-3,6-dinitro-chromen-2-one CAS Name: 4-(4-methyl-1-piperazin-4-iumyl)-3,6-dinitro-1-benzopyran-2-one IUPAC Name: 4-(4-methylpiperazin-4-ium-1-yl)-3,6-dinitrochromen-2-one Traditional Name: 4-(4-methylpiperazin-4-ium-1-yl)-3,6-dinitro-coumarin Formula: C14H15N4O6+ MolecularWeight: 335.2921

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C(=O)OC3=C2C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C(=O)OC3=C2C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O6/c1-15-4-6-16(7-5-15)12-10-8-9(17(20)21)2-3-11(10)24-14(19)13(12)18(22)23/h2-3,8H,4-7H2,1H3/p+1