3-(4-ethylpiperazin-4-ium-1-yl)carbonyl-8-methoxy-6-nitro-chromen-2-one

Systemtic Name: 3-(4-ethylpiperazin-4-ium-1-yl)carbonyl-8-methoxy-6-nitro-chromen-2-one Openeye Name: 3-(4-ethylpiperazin-4-ium-1-carbonyl)-8-methoxy-6-nitro-chromen-2-one CAS Name: 3-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-8-methoxy-6-nitro-1-benzopyran-2-one IUPAC Name: 3-(4-ethylpiperazin-4-ium-1-carbonyl)-8-methoxy-6-nitrochromen-2-one Traditional Name: 3-(4-ethylpiperazin-4-ium-1-carbonyl)-8-methoxy-6-nitro-coumarin Formula: C17H20N3O6+ MolecularWeight: 362.3572

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC3=CC(=CC(=C3OC2=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC3=CC(=CC(=C3OC2=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O6/c1-3-18-4-6-19(7-5-18)16(21)13-9-11-8-12(20(23)24)10-14(25-2)15(11)26-17(13)22/h8-10H,3-7H2,1-2H3/p+1