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

Systemtic Name: 3-(4-ethylpiperazin-4-ium-1-yl)carbonyl-6-nitro-chromen-2-one Openeye Name: 3-(4-ethylpiperazin-4-ium-1-carbonyl)-6-nitro-chromen-2-one CAS Name: 3-[(4-ethyl-1-piperazin-4-iumyl)-oxomethyl]-6-nitro-1-benzopyran-2-one IUPAC Name: 3-(4-ethylpiperazin-4-ium-1-carbonyl)-6-nitrochromen-2-one Traditional Name: 3-(4-ethylpiperazin-4-ium-1-carbonyl)-6-nitro-coumarin Formula: C16H18N3O5+ MolecularWeight: 332.33122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O5/c1-2-17-5-7-18(8-6-17)15(20)13-10-11-9-12(19(22)23)3-4-14(11)24-16(13)21/h3-4,9-10H,2,5-8H2,1H3/p+1