N'-[(3S,4R)-2,2-bis(methoxymethyl)-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]-N-cyano-pyridine-3-carboximidamide

Systemtic Name: N'-[(3S,4R)-2,2-bis(methoxymethyl)-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]-N-cyano-pyridine-3-carboximidamide Openeye Name: N-cyano-N'-[(3S,4R)-3-hydroxy-2,2-bis(methoxymethyl)-6-nitro-chroman-4-yl]pyridine-3-carboxamidine CAS Name: N-cyano-N'-[(3S,4R)-3-hydroxy-2,2-bis(methoxymethyl)-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]-3-pyridinecarboximidamide IUPAC Name: N-cyano-N'-[(3S,4R)-3-hydroxy-2,2-bis(methoxymethyl)-6-nitro-3,4-dihydrochromen-4-yl]pyridine-3-carboximidamide Traditional Name: N-cyano-N'-[(3S,4R)-3-hydroxy-2,2-bis(methoxymethyl)-6-nitro-chroman-4-yl]nicotinamidine Formula: C20H21N5O6 MolecularWeight: 427.41064

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Descriptors Computed from Structure

Canonical SMILES:

COCC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N=C(C3=CN=CC=C3)NC#N)O)COC

Isomeric SMILES

COCC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)[N+](=O)[O-])N=C(C3=CN=CC=C3)NC#N)O)COC

InChI

InChI=1S/C20H21N5O6/c1-29-10-20(11-30-2)18(26)17(15-8-14(25(27)28)5-6-16(15)31-20)24-19(23-12-21)13-4-3-7-22-9-13/h3-9,17-18,26H,10-11H2,1-2H3,(H,23,24)/t17-,18+/m1/s1