4-[(3-bromophenyl)amino]-7-methoxy-6-nitro-quinoline-3-carbonitrile

Systemtic Name: 4-[(3-bromophenyl)amino]-7-methoxy-6-nitro-quinoline-3-carbonitrile Openeye Name: 4-(3-bromoanilino)-7-methoxy-6-nitro-quinoline-3-carbonitrile CAS Name: 4-(3-bromoanilino)-7-methoxy-6-nitro-3-quinolinecarbonitrile IUPAC Name: 4-(3-bromoanilino)-7-methoxy-6-nitroquinoline-3-carbonitrile Traditional Name: 4-(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(=C1)N=CC(=C2NC3=CC(=CC=C3)Br)C#N)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C2C(=C1)N=CC(=C2NC3=CC(=CC=C3)Br)C#N)[N+](=O)[O-]

InChI

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