2-azanyl-6-tert-butyl-4-(2-chloranyl-5-nitro-phenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-azanyl-6-tert-butyl-4-(2-chloranyl-5-nitro-phenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-6-tert-butyl-4-(2-chloro-5-nitro-phenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-6-tert-butyl-4-(2-chloro-5-nitrophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-6-tert-butyl-4-(2-chloro-5-nitrophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-6-tert-butyl-4-(2-chloro-5-nitro-phenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C20H21ClN4O2 MolecularWeight: 384.85934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)(C)C1CCC2=C(C1)C(=C(C(=N2)N)C#N)C3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H21ClN4O2/c1-20(2,3)11-4-7-17-14(8-11)18(15(10-22)19(23)24-17)13-9-12(25(26)27)5-6-16(13)21/h5-6,9,11H,4,7-8H2,1-3H3,(H2,23,24)