N-(5-chloranyl-2-morpholin-4-yl-phenyl)-4-(cyclopropylamino)-3-nitro-benzamide

Systemtic Name: N-(5-chloranyl-2-morpholin-4-yl-phenyl)-4-(cyclopropylamino)-3-nitro-benzamide Openeye Name: N-(5-chloro-2-morpholino-phenyl)-4-(cyclopropylamino)-3-nitro-benzamide CAS Name: N-[5-chloro-2-(4-morpholinyl)phenyl]-4-(cyclopropylamino)-3-nitrobenzamide IUPAC Name: N-(5-chloro-2-morpholin-4-ylphenyl)-4-(cyclopropylamino)-3-nitrobenzamide Traditional Name: N-(5-chloro-2-morpholino-phenyl)-4-(cyclopropylamino)-3-nitro-benzamide Formula: C20H21ClN4O4 MolecularWeight: 416.85814

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)Cl)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CC1NC2=C(C=C(C=C2)C(=O)NC3=C(C=CC(=C3)Cl)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN4O4/c21-14-2-6-18(24-7-9-29-10-8-24)17(12-14)23-20(26)13-1-5-16(22-15-3-4-15)19(11-13)25(27)28/h1-2,5-6,11-12,15,22H,3-4,7-10H2,(H,23,26)