2-[5-[(2E)-2-azanyl-2-hydroxyimino-ethoxy]-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxy-N'-oxidanyl-ethanimidamide

Systemtic Name: 2-[5-[(2E)-2-azanyl-2-hydroxyimino-ethoxy]-4-methyl-2-oxidanylidene-3-(phenylmethyl)chromen-7-yl]oxy-N'-oxidanyl-ethanimidamide Openeye Name: 2-[5-[(2E)-2-amino-2-hydroxyimino-ethoxy]-3-benzyl-4-methyl-2-oxo-chromen-7-yl]oxy-N'-hydroxy-acetamidine CAS Name: 2-[[5-[(2E)-2-amino-2-hydroxyiminoethoxy]-4-methyl-2-oxo-3-(phenylmethyl)-1-benzopyran-7-yl]oxy]-N'-hydroxyethanimidamide IUPAC Name: 2-[5-[(2E)-2-amino-2-hydroxyiminoethoxy]-3-benzyl-4-methyl-2-oxochromen-7-yl]oxy-N'-hydroxyethanimidamide Traditional Name: 2-[5-[(2E)-2-amino-2-hydroximino-ethoxy]-3-benzyl-2-keto-4-methyl-chromen-7-yl]oxy-N'-hydroxy-acetamidine Formula: C21H22N4O6 MolecularWeight: 426.42258

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)OC2=CC(=CC(=C12)OCC(=NO)N)OCC(=NO)N)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=O)OC2=CC(=CC(=C12)OC/C(=N\O)/N)OC/C(=N\O)/N)CC3=CC=CC=C3

InChI

InChI=1S/C21H22N4O6/c1-12-15(7-13-5-3-2-4-6-13)21(26)31-17-9-14(29-10-18(22)24-27)8-16(20(12)17)30-11-19(23)25-28/h2-6,8-9,27-28H,7,10-11H2,1H3,(H2,22,24)(H2,23,25)