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

Systemtic Name: 1-cyano-1-[2-(dimethoxymethyl)-2-methyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]-2-(4-nitrophenyl)guanidine Openeye Name: 1-cyano-1-[2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-chroman-4-yl]-2-(4-nitrophenyl)guanidine CAS Name: 1-cyano-1-[2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]-2-(4-nitrophenyl)guanidine IUPAC Name: 1-cyano-1-[2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-3,4-dihydrochromen-4-yl]-2-(4-nitrophenyl)guanidine Traditional Name: 1-cyano-1-[2-(dimethoxymethyl)-3-hydroxy-2-methyl-6-nitro-chroman-4-yl]-2-(4-nitrophenyl)guanidine Formula: C21H22N6O8 MolecularWeight: 486.43478

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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)[N+](=O)[O-])N)O)C(OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H22N6O8/c1-21(19(33-2)34-3)18(28)17(15-10-14(27(31)32)8-9-16(15)35-21)25(11-22)20(23)24-12-4-6-13(7-5-12)26(29)30/h4-10,17-19,28H,1-3H3,(H2,23,24)