N-[(E)-(4-morpholin-4-yl-3-nitro-phenyl)methylideneamino]-2-pyrrol-1-yl-benzamide

Systemtic Name: N-[(E)-(4-morpholin-4-yl-3-nitro-phenyl)methylideneamino]-2-pyrrol-1-yl-benzamide Openeye Name: N-[(E)-(4-morpholino-3-nitro-phenyl)methyleneamino]-2-pyrrol-1-yl-benzamide CAS Name: N-[(E)-[4-(4-morpholinyl)-3-nitrophenyl]methylideneamino]-2-(1-pyrrolyl)benzamide IUPAC Name: N-[(E)-(4-morpholin-4-yl-3-nitrophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide Traditional Name: N-[(E)-(4-morpholino-3-nitro-benzylidene)amino]-2-pyrrol-1-yl-benzamide Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C=C(C=C2)C=NNC(=O)C3=CC=CC=C3N4C=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C=C(C=C2)/C=N/NC(=O)C3=CC=CC=C3N4C=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O4/c28-22(18-5-1-2-6-19(18)25-9-3-4-10-25)24-23-16-17-7-8-20(21(15-17)27(29)30)26-11-13-31-14-12-26/h1-10,15-16H,11-14H2,(H,24,28)/b23-16+