N-[3-chloranyl-4-[cyano(phenyl)methyl]phenyl]-2-morpholin-4-yl-5-nitro-benzamide

Systemtic Name: N-[3-chloranyl-4-[cyano(phenyl)methyl]phenyl]-2-morpholin-4-yl-5-nitro-benzamide Openeye Name: N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-2-morpholino-5-nitro-benzamide CAS Name: N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-2-(4-morpholinyl)-5-nitrobenzamide IUPAC Name: N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-2-morpholin-4-yl-5-nitrobenzamide Traditional Name: N-[3-chloro-4-[cyano(phenyl)methyl]phenyl]-2-morpholino-5-nitro-benzamide Formula: C25H21ClN4O4 MolecularWeight: 476.91164

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=C(C=C3)C(C#N)C4=CC=CC=C4)Cl

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC(=C(C=C3)C(C#N)C4=CC=CC=C4)Cl

InChI

InChI=1S/C25H21ClN4O4/c26-23-14-18(6-8-20(23)22(16-27)17-4-2-1-3-5-17)28-25(31)21-15-19(30(32)33)7-9-24(21)29-10-12-34-13-11-29/h1-9,14-15,22H,10-13H2,(H,28,31)