N-[(E)-(2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl)methylideneamino]-3-nitro-benzamide

Systemtic Name: N-[(E)-(2-morpholin-4-yl-4-oxidanylidene-pyrido[1,2-a]pyrimidin-3-yl)methylideneamino]-3-nitro-benzamide Openeye Name: N-[(E)-(2-morpholino-4-oxo-pyrido[1,2-a]pyrimidin-3-yl)methyleneamino]-3-nitro-benzamide CAS Name: N-[(E)-[2-(4-morpholinyl)-4-oxo-3-pyrido[1,2-a]pyrimidinyl]methylideneamino]-3-nitrobenzamide IUPAC Name: N-[(E)-(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylideneamino]-3-nitrobenzamide Traditional Name: N-[(E)-(4-keto-2-morpholino-pyrido[1,2-a]pyrimidin-3-yl)methyleneamino]-3-nitro-benzamide Formula: C20H18N6O5 MolecularWeight: 422.39412

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C(=O)N3C=CC=CC3=N2)C=NNC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C(=O)N3C=CC=CC3=N2)/C=N/NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H18N6O5/c27-19(14-4-3-5-15(12-14)26(29)30)23-21-13-16-18(24-8-10-31-11-9-24)22-17-6-1-2-7-25(17)20(16)28/h1-7,12-13H,8-11H2,(H,23,27)/b21-13+