2-[(3-bromophenyl)amino]-7-methoxy-6-nitro-quinoline-3-carbonitrile

Systemtic Name: 2-[(3-bromophenyl)amino]-7-methoxy-6-nitro-quinoline-3-carbonitrile Openeye Name: 2-(3-bromoanilino)-7-methoxy-6-nitro-quinoline-3-carbonitrile CAS Name: 2-(3-bromoanilino)-7-methoxy-6-nitro-3-quinolinecarbonitrile IUPAC Name: 2-(3-bromoanilino)-7-methoxy-6-nitroquinoline-3-carbonitrile Traditional Name: 2-(3-bromoanilino)-7-methoxy-6-nitro-quinoline-3-carbonitrile Formula: C17H11BrN4O3 MolecularWeight: 399.19824

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C=C(C(=NC2=C1)NC3=CC(=CC=C3)Br)C#N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C2C=C(C(=NC2=C1)NC3=CC(=CC=C3)Br)C#N)[N+](=O)[O-]

InChI

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