1-cyano-2-[(3S,4R)-2,2-dimethyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]-3-phenyl-guanidine

Systemtic Name: 1-cyano-2-[(3S,4R)-2,2-dimethyl-6-nitro-3-oxidanyl-3,4-dihydrochromen-4-yl]-3-phenyl-guanidine Openeye Name: 1-cyano-2-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-nitro-chroman-4-yl]-3-phenyl-guanidine CAS Name: 1-cyano-2-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-nitro-3,4-dihydro-2H-1-benzopyran-4-yl]-3-phenylguanidine IUPAC Name: 1-cyano-2-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-nitro-3,4-dihydrochromen-4-yl]-3-phenylguanidine Traditional Name: 1-cyano-2-[(3S,4R)-3-hydroxy-2,2-dimethyl-6-nitro-chroman-4-yl]-3-phenyl-guanidine Formula: C19H19N5O4 MolecularWeight: 381.38526

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N5O4/c1-19(2)17(25)16(14-10-13(24(26)27)8-9-15(14)28-19)23-18(21-11-20)22-12-6-4-3-5-7-12/h3-10,16-17,25H,1-2H3,(H2,21,22,23)/t16-,17+/m1/s1