3-[2-[3-(2-hydroxyethyl)-2-methyl-4-nitro-imidazol-1-ium-1-yl]ethanoyl]chromen-2-one

Systemtic Name: 3-[2-[3-(2-hydroxyethyl)-2-methyl-4-nitro-imidazol-1-ium-1-yl]ethanoyl]chromen-2-one Openeye Name: 3-[2-[3-(2-hydroxyethyl)-2-methyl-4-nitro-imidazol-1-ium-1-yl]acetyl]chromen-2-one CAS Name: 3-[2-[3-(2-hydroxyethyl)-2-methyl-4-nitro-1-imidazol-1-iumyl]-1-oxoethyl]-1-benzopyran-2-one IUPAC Name: 3-[2-[3-(2-hydroxyethyl)-2-methyl-4-nitroimidazol-1-ium-1-yl]acetyl]chromen-2-one Traditional Name: 3-[2-[3-(2-hydroxyethyl)-2-methyl-4-nitro-imidazol-1-ium-1-yl]acetyl]coumarin Formula: C17H16N3O6+ MolecularWeight: 358.32544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(N1CCO)[N+](=O)[O-])CC(=O)C2=CC3=CC=CC=C3OC2=O

Isomeric SMILES

CC1=[N+](C=C(N1CCO)[N+](=O)[O-])CC(=O)C2=CC3=CC=CC=C3OC2=O

InChI

InChI=1S/C17H16N3O6/c1-11-18(10-16(20(24)25)19(11)6-7-21)9-14(22)13-8-12-4-2-3-5-15(12)26-17(13)23/h2-5,8,10,21H,6-7,9H2,1H3/q+1