1-cyano-3-[(2S,3S,4R)-2-(diethoxymethyl)-2-methyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]-2-(phenylmethyl)guanidine

Systemtic Name: 1-cyano-3-[(2S,3S,4R)-2-(diethoxymethyl)-2-methyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]-2-(phenylmethyl)guanidine Openeye Name: 2-benzyl-1-cyano-3-[(2S,3S,4R)-2-(diethoxymethyl)-3-hydroxy-2-methyl-6-nitro-chroman-4-yl]guanidine CAS Name: 1-cyano-3-[(2S,3S,4R)-2-(diethoxymethyl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(phenylmethyl)guanidine IUPAC Name: 2-benzyl-1-cyano-3-[(2S,3S,4R)-2-(diethoxymethyl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydrochromen-4-yl]guanidine Traditional Name: 2-benzyl-1-cyano-3-[(2S,3S,4R)-2-(diethoxymethyl)-3-hydroxy-2-methyl-6-nitro-chroman-4-yl]guanidine Formula: C24H29N5O6 MolecularWeight: 483.51696

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])NC(=NCC3=CC=CC=C3)NC#N)O)C)OCC

Isomeric SMILES

CCOC([C@@]1([C@H]([C@@H](C2=C(O1)C=CC(=C2)[N+](=O)[O-])NC(=NCC3=CC=CC=C3)NC#N)O)C)OCC

InChI

InChI=1S/C24H29N5O6/c1-4-33-22(34-5-2)24(3)21(30)20(18-13-17(29(31)32)11-12-19(18)35-24)28-23(27-15-25)26-14-16-9-7-6-8-10-16/h6-13,20-22,30H,4-5,14H2,1-3H3,(H2,26,27,28)/t20-,21+,24+/m1/s1