4-[(3-bromophenyl)amino]-8-(2-dimethylaminoethyl)-6-nitro-quinoline-3-carbonitrile

Systemtic Name: 4-[(3-bromophenyl)amino]-8-(2-dimethylaminoethyl)-6-nitro-quinoline-3-carbonitrile Openeye Name: 4-(3-bromoanilino)-8-(2-dimethylaminoethyl)-6-nitro-quinoline-3-carbonitrile CAS Name: 4-(3-bromoanilino)-8-(2-dimethylaminoethyl)-6-nitro-3-quinolinecarbonitrile IUPAC Name: 4-(3-bromoanilino)-8-(2-dimethylaminoethyl)-6-nitroquinoline-3-carbonitrile Traditional Name: 4-(3-bromoanilino)-8-(2-dimethylaminoethyl)-6-nitro-quinoline-3-carbonitrile Formula: C20H18BrN5O2 MolecularWeight: 440.29322

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=C2C(=CC(=C1)[N+](=O)[O-])C(=C(C=N2)C#N)NC3=CC(=CC=C3)Br

Isomeric SMILES

CN(C)CCC1=C2C(=CC(=C1)[N+](=O)[O-])C(=C(C=N2)C#N)NC3=CC(=CC=C3)Br

InChI

InChI=1S/C20H18BrN5O2/c1-25(2)7-6-13-8-17(26(27)28)10-18-19(13)23-12-14(11-22)20(18)24-16-5-3-4-15(21)9-16/h3-5,8-10,12H,6-7H2,1-2H3,(H,23,24)