4-[(3-bromophenyl)amino]-8-methoxy-6-nitro-quinoline-3-carbonitrile

Systemtic Name: 4-[(3-bromophenyl)amino]-8-methoxy-6-nitro-quinoline-3-carbonitrile Openeye Name: 4-(3-bromoanilino)-8-methoxy-6-nitro-quinoline-3-carbonitrile CAS Name: 4-(3-bromoanilino)-8-methoxy-6-nitro-3-quinolinecarbonitrile IUPAC Name: 4-(3-bromoanilino)-8-methoxy-6-nitroquinoline-3-carbonitrile Traditional Name: 4-(3-bromoanilino)-8-methoxy-6-nitro-quinoline-3-carbonitrile Formula: C17H11BrN4O3 MolecularWeight: 399.19824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1)[N+](=O)[O-])C(=C(C=N2)C#N)NC3=CC(=CC=C3)Br

Isomeric SMILES

COC1=C2C(=CC(=C1)[N+](=O)[O-])C(=C(C=N2)C#N)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C17H11BrN4O3/c1-25-15-7-13(22(23)24)6-14-16(10(8-19)9-20-17(14)15)21-12-4-2-3-11(18)5-12/h2-7,9H,1H3,(H,20,21)