1-cyano-1-(3,3-dimethyl-6-nitro-2-oxidanyl-1,2-dihydroinden-1-yl)-2-phenyl-guanidine

Systemtic Name: 1-cyano-1-(3,3-dimethyl-6-nitro-2-oxidanyl-1,2-dihydroinden-1-yl)-2-phenyl-guanidine Openeye Name: 1-cyano-1-(2-hydroxy-3,3-dimethyl-6-nitro-indan-1-yl)-2-phenyl-guanidine CAS Name: 1-cyano-1-(2-hydroxy-3,3-dimethyl-6-nitro-1,2-dihydroinden-1-yl)-2-phenylguanidine IUPAC Name: 1-cyano-1-(2-hydroxy-3,3-dimethyl-6-nitro-1,2-dihydroinden-1-yl)-2-phenylguanidine Traditional Name: 1-cyano-1-(2-hydroxy-3,3-dimethyl-6-nitro-indan-1-yl)-2-phenyl-guanidine Formula: C19H19N5O3 MolecularWeight: 365.38586

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C1C=CC(=C2)[N+](=O)[O-])N(C#N)C(=NC3=CC=CC=C3)N)O)C

Isomeric SMILES

CC1(C(C(C2=C1C=CC(=C2)[N+](=O)[O-])N(C#N)C(=NC3=CC=CC=C3)N)O)C

InChI

InChI=1S/C19H19N5O3/c1-19(2)15-9-8-13(24(26)27)10-14(15)16(17(19)25)23(11-20)18(21)22-12-6-4-3-5-7-12/h3-10,16-17,25H,1-2H3,(H2,21,22)