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

Systemtic Name: 2-(4-chlorophenyl)-1-cyano-1-[2-(hydroxymethyl)-2-methyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]guanidine Openeye Name: 2-(4-chlorophenyl)-1-cyano-1-[3-hydroxy-2-(hydroxymethyl)-2-methyl-6-nitro-chroman-4-yl]guanidine CAS Name: 2-(4-chlorophenyl)-1-cyano-1-[3-hydroxy-2-(hydroxymethyl)-2-methyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]guanidine IUPAC Name: 2-(4-chlorophenyl)-1-cyano-1-[3-hydroxy-2-(hydroxymethyl)-2-methyl-6-nitro-3,4-dihydrochromen-4-yl]guanidine Traditional Name: 2-(4-chlorophenyl)-1-cyano-1-(3-hydroxy-2-methyl-2-methylol-6-nitro-chroman-4-yl)guanidine Formula: C19H18ClN5O5 MolecularWeight: 431.82972

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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)CO

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)CO

InChI

InChI=1S/C19H18ClN5O5/c1-19(9-26)17(27)16(14-8-13(25(28)29)6-7-15(14)30-19)24(10-21)18(22)23-12-4-2-11(20)3-5-12/h2-8,16-17,26-27H,9H2,1H3,(H2,22,23)