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

Systemtic Name: N-[2-chloranyl-5-(propanoylamino)phenyl]-4-morpholin-4-yl-3-nitro-benzamide Openeye Name: N-[2-chloro-5-(propanoylamino)phenyl]-4-morpholino-3-nitro-benzamide CAS Name: N-[2-chloro-5-(1-oxopropylamino)phenyl]-4-(4-morpholinyl)-3-nitrobenzamide IUPAC Name: N-[2-chloro-5-(propanoylamino)phenyl]-4-morpholin-4-yl-3-nitrobenzamide Traditional Name: N-(2-chloro-5-propionamido-phenyl)-4-morpholino-3-nitro-benzamide Formula: C20H21ClN4O5 MolecularWeight: 432.85754

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCC(=O)NC1=CC(=C(C=C1)Cl)NC(=O)C2=CC(=C(C=C2)N3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H21ClN4O5/c1-2-19(26)22-14-4-5-15(21)16(12-14)23-20(27)13-3-6-17(18(11-13)25(28)29)24-7-9-30-10-8-24/h3-6,11-12H,2,7-10H2,1H3,(H,22,26)(H,23,27)