2,2-dimethyl-7-nitro-3-oxidanyl-4-(phenethylamino)-3,4-dihydrochromene-6-carbonitrile

Systemtic Name: 2,2-dimethyl-7-nitro-3-oxidanyl-4-(phenethylamino)-3,4-dihydrochromene-6-carbonitrile Openeye Name: 3-hydroxy-2,2-dimethyl-7-nitro-4-(phenethylamino)chromane-6-carbonitrile CAS Name: 3-hydroxy-2,2-dimethyl-7-nitro-4-(phenethylamino)-3,4-dihydro-2H-1-benzopyran-6-carbonitrile IUPAC Name: 3-hydroxy-2,2-dimethyl-7-nitro-4-(phenethylamino)-3,4-dihydrochromene-6-carbonitrile Traditional Name: 3-hydroxy-2,2-dimethyl-7-nitro-4-(phenethylamino)chroman-6-carbonitrile Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=C(C(=C2)C#N)[N+](=O)[O-])NCCC3=CC=CC=C3)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=C(C(=C2)C#N)[N+](=O)[O-])NCCC3=CC=CC=C3)O)C

InChI

InChI=1S/C20H21N3O4/c1-20(2)19(24)18(22-9-8-13-6-4-3-5-7-13)15-10-14(12-21)16(23(25)26)11-17(15)27-20/h3-7,10-11,18-19,22,24H,8-9H2,1-2H3