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

Systemtic Name: 2-azanyl-4-(2-chloranyl-5-nitro-phenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-amino-4-(2-chloro-5-nitro-phenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-amino-4-(2-chloro-5-nitrophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-amino-4-(2-chloro-5-nitrophenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-amino-4-(2-chloro-5-nitro-phenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C16H13ClN4O2 MolecularWeight: 328.75302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClN4O2/c17-13-6-5-9(21(22)23)7-11(13)15-10-3-1-2-4-14(10)20-16(19)12(15)8-18/h5-7H,1-4H2,(H2,19,20)