1-cyano-2-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-3-(3-nitrophenyl)guanidine

Systemtic Name: 1-cyano-2-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-3-(3-nitrophenyl)guanidine Openeye Name: 1-cyano-2-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-3-(3-nitrophenyl)guanidine CAS Name: 1-cyano-2-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-3-(3-nitrophenyl)guanidine IUPAC Name: 1-cyano-2-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-3-(3-nitrophenyl)guanidine Traditional Name: 1-cyano-2-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-3-(3-nitrophenyl)guanidine Formula: C20H18N6O4 MolecularWeight: 406.39472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N6O4/c1-20(2)18(27)17(15-8-12(10-21)6-7-16(15)30-20)25-19(23-11-22)24-13-4-3-5-14(9-13)26(28)29/h3-9,17-18,27H,1-2H3,(H2,23,24,25)