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

Systemtic Name: N-(3-chloranyl-4-pyrrolidin-1-yl-phenyl)-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-(3-chloro-4-pyrrolidin-1-yl-phenyl)-4-morpholino-3-nitro-benzamide CAS Name: N-[3-chloro-4-(1-pyrrolidinyl)phenyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-(3-chloro-4-pyrrolidin-1-ylphenyl)-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-(3-chloro-4-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=C(C=C2)NC(=O)C3=CC(=C(C=C3)N4CCOCC4)[N+](=O)[O-])Cl

Isomeric SMILES

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

InChI

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