2-(4-chlorophenyl)-1-cyano-1-[2-(methoxymethyl)-2-methyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]guanidine

Systemtic Name: 2-(4-chlorophenyl)-1-cyano-1-[2-(methoxymethyl)-2-methyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]guanidine Openeye Name: 2-(4-chlorophenyl)-1-cyano-1-[3-hydroxy-2-(methoxymethyl)-2-methyl-6-nitro-chroman-4-yl]guanidine CAS Name: 2-(4-chlorophenyl)-1-cyano-1-[3-hydroxy-2-(methoxymethyl)-2-methyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]guanidine IUPAC Name: 2-(4-chlorophenyl)-1-cyano-1-[3-hydroxy-2-(methoxymethyl)-2-methyl-6-nitro-3,4-dihydrochromen-4-yl]guanidine Traditional Name: 2-(4-chlorophenyl)-1-cyano-1-[3-hydroxy-2-(methoxymethyl)-2-methyl-6-nitro-chroman-4-yl]guanidine Formula: C20H20ClN5O5 MolecularWeight: 445.8563

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N(C#N)C(=NC3=CC=C(C=C3)Cl)N)O)COC

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)[N+](=O)[O-])N(C#N)C(=NC3=CC=C(C=C3)Cl)N)O)COC

InChI

InChI=1S/C20H20ClN5O5/c1-20(10-30-2)18(27)17(15-9-14(26(28)29)7-8-16(15)31-20)25(11-22)19(23)24-13-5-3-12(21)4-6-13/h3-9,17-18,27H,10H2,1-2H3,(H2,23,24)