N-(3-chloranyl-2-pyrrolidin-1-yl-phenyl)-4-morpholin-4-yl-3-nitro-benzamide

Systemtic Name: N-(3-chloranyl-2-pyrrolidin-1-yl-phenyl)-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-(3-chloro-2-pyrrolidin-1-yl-phenyl)-4-morpholino-3-nitro-benzamide CAS Name: N-[3-chloro-2-(1-pyrrolidinyl)phenyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-(3-chloro-2-pyrrolidin-1-ylphenyl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-(3-chloro-2-pyrrolidino-phenyl)-4-morpholino-3-nitro-benzamide Formula: C21H23ClN4O4 MolecularWeight: 430.88472

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=CC=C2Cl)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=CC=C2Cl)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C21H23ClN4O4/c22-16-4-3-5-17(20(16)25-8-1-2-9-25)23-21(27)15-6-7-18(19(14-15)26(28)29)24-10-12-30-13-11-24/h3-7,14H,1-2,8-13H2,(H,23,27)