(1R,10aS)-3-azanyl-2-nitro-1-phenyl-1,9,10,10a-tetrahydrophenanthrene-4-carbonitrile

Systemtic Name: (1R,10aS)-3-azanyl-2-nitro-1-phenyl-1,9,10,10a-tetrahydrophenanthrene-4-carbonitrile Openeye Name: (1R,10aS)-3-amino-2-nitro-1-phenyl-1,9,10,10a-tetrahydrophenanthrene-4-carbonitrile CAS Name: (1R,10aS)-3-amino-2-nitro-1-phenyl-1,9,10,10a-tetrahydrophenanthrene-4-carbonitrile IUPAC Name: (1R,10aS)-3-amino-2-nitro-1-phenyl-1,9,10,10a-tetrahydrophenanthrene-4-carbonitrile Traditional Name: (1R,10aS)-3-amino-2-nitro-1-phenyl-1,9,10,10a-tetrahydrophenanthrene-4-carbonitrile Formula: C21H17N3O2 MolecularWeight: 343.37858

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=CC=CC=C2C3=C(C(=C(C(C31)C4=CC=CC=C4)[N+](=O)[O-])N)C#N

Isomeric SMILES

C1CC2=CC=CC=C2C3=C(C(=C([C@H]([C@@H]31)C4=CC=CC=C4)[N+](=O)[O-])N)C#N

InChI

InChI=1S/C21H17N3O2/c22-12-17-19-15-9-5-4-6-13(15)10-11-16(19)18(14-7-2-1-3-8-14)21(20(17)23)24(25)26/h1-9,16,18H,10-11,23H2/t16-,18-/m0/s1