N-[(E)-[3-bromanyl-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-3-nitro-benzamide

Systemtic Name: N-[(E)-[3-bromanyl-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-3-nitro-benzamide Openeye Name: N-[(E)-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]methyleneamino]-3-nitro-benzamide CAS Name: N-[(E)-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-3-nitrobenzamide IUPAC Name: N-[(E)-[3-bromo-4-[(2-cyanophenyl)methoxy]phenyl]methylideneamino]-3-nitrobenzamide Traditional Name: N-[(E)-[3-bromo-4-(2-cyanobenzyl)oxy-benzylidene]amino]-3-nitro-benzamide Formula: C22H15BrN4O4 MolecularWeight: 479.2829

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)COC2=C(C=C(C=C2)C=NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])Br)C#N

Isomeric SMILES

C1=CC=C(C(=C1)COC2=C(C=C(C=C2)/C=N/NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])Br)C#N

InChI

InChI=1S/C22H15BrN4O4/c23-20-10-15(8-9-21(20)31-14-18-5-2-1-4-17(18)12-24)13-25-26-22(28)16-6-3-7-19(11-16)27(29)30/h1-11,13H,14H2,(H,26,28)/b25-13+