3-(4-methylpiperazin-4-ium-1-yl)carbonyl-6-nitro-chromen-2-one

Systemtic Name: 3-(4-methylpiperazin-4-ium-1-yl)carbonyl-6-nitro-chromen-2-one Openeye Name: 3-(4-methylpiperazin-4-ium-1-carbonyl)-6-nitro-chromen-2-one CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]-6-nitro-1-benzopyran-2-one IUPAC Name: 3-(4-methylpiperazin-4-ium-1-carbonyl)-6-nitrochromen-2-one Traditional Name: 3-(4-methylpiperazin-4-ium-1-carbonyl)-6-nitro-coumarin Formula: C15H16N3O5+ MolecularWeight: 318.30464

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC3=C(C=CC(=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C15H15N3O5/c1-16-4-6-17(7-5-16)14(19)12-9-10-8-11(18(21)22)2-3-13(10)23-15(12)20/h2-3,8-9H,4-7H2,1H3/p+1