4-[[2-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]amino]-3-nitro-chromen-2-one

Systemtic Name: 4-[[2-(4-methylpiperazin-4-ium-1-yl)carbonylphenyl]amino]-3-nitro-chromen-2-one Openeye Name: 4-[2-(4-methylpiperazin-4-ium-1-carbonyl)anilino]-3-nitro-chromen-2-one CAS Name: 4-[2-[(4-methyl-1-piperazin-4-iumyl)-oxomethyl]anilino]-3-nitro-1-benzopyran-2-one IUPAC Name: 4-[2-(4-methylpiperazin-4-ium-1-carbonyl)anilino]-3-nitrochromen-2-one Traditional Name: 4-[2-(4-methylpiperazin-4-ium-1-carbonyl)anilino]-3-nitro-coumarin Formula: C21H21N4O5+ MolecularWeight: 409.41524

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2NC3=C(C(=O)OC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=CC=CC=C2NC3=C(C(=O)OC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O5/c1-23-10-12-24(13-11-23)20(26)14-6-2-4-8-16(14)22-18-15-7-3-5-9-17(15)30-21(27)19(18)25(28)29/h2-9,22H,10-13H2,1H3/p+1