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

Systemtic Name: 2-[(3-bromophenyl)amino]-7-ethoxy-6-nitro-quinoline-3-carbonitrile Openeye Name: 2-(3-bromoanilino)-7-ethoxy-6-nitro-quinoline-3-carbonitrile CAS Name: 2-(3-bromoanilino)-7-ethoxy-6-nitro-3-quinolinecarbonitrile IUPAC Name: 2-(3-bromoanilino)-7-ethoxy-6-nitroquinoline-3-carbonitrile Traditional Name: 2-(3-bromoanilino)-7-ethoxy-6-nitro-quinoline-3-carbonitrile Formula: C18H13BrN4O3 MolecularWeight: 413.22482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C=C(C(=NC2=C1)NC3=CC(=CC=C3)Br)C#N)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C2C=C(C(=NC2=C1)NC3=CC(=CC=C3)Br)C#N)[N+](=O)[O-]

InChI

InChI=1S/C18H13BrN4O3/c1-2-26-17-9-15-11(7-16(17)23(24)25)6-12(10-20)18(22-15)21-14-5-3-4-13(19)8-14/h3-9H,2H2,1H3,(H,21,22)