2-[(3-bromophenyl)amino]-6-nitro-quinoline-3-carbonitrile

Systemtic Name: 2-[(3-bromophenyl)amino]-6-nitro-quinoline-3-carbonitrile Openeye Name: 2-(3-bromoanilino)-6-nitro-quinoline-3-carbonitrile CAS Name: 2-(3-bromoanilino)-6-nitro-3-quinolinecarbonitrile IUPAC Name: 2-(3-bromoanilino)-6-nitroquinoline-3-carbonitrile Traditional Name: 2-(3-bromoanilino)-6-nitro-quinoline-3-carbonitrile Formula: C16H9BrN4O2 MolecularWeight: 369.17226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C=C2C#N

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC2=NC3=C(C=C(C=C3)[N+](=O)[O-])C=C2C#N

InChI

InChI=1S/C16H9BrN4O2/c17-12-2-1-3-13(8-12)19-16-11(9-18)6-10-7-14(21(22)23)4-5-15(10)20-16/h1-8H,(H,19,20)