4-chloranyl-6-[[[2-(morpholin-4-ylmethyl)phenyl]methylamino]methylidene]-2-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 4-chloranyl-6-[[[2-(morpholin-4-ylmethyl)phenyl]methylamino]methylidene]-2-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 4-chloro-6-[[[2-(morpholinomethyl)phenyl]methylamino]methylene]-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: 4-chloro-6-[[[2-(4-morpholinylmethyl)phenyl]methylamino]methylidene]-2-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 4-chloro-6-[[[2-(morpholin-4-ylmethyl)phenyl]methylamino]methylidene]-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: 4-chloro-6-[[[2-(morpholinomethyl)benzyl]amino]methylene]-2-nitro-cyclohexa-2,4-dien-1-one Formula: C19H20ClN3O4 MolecularWeight: 389.8328

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1CC2=CC=CC=C2CNC=C3C=C(C=C(C3=O)[N+](=O)[O-])Cl

Isomeric SMILES

C1COCCN1CC2=CC=CC=C2CNC=C3C=C(C=C(C3=O)[N+](=O)[O-])Cl

InChI

InChI=1S/C19H20ClN3O4/c20-17-9-16(19(24)18(10-17)23(25)26)12-21-11-14-3-1-2-4-15(14)13-22-5-7-27-8-6-22/h1-4,9-10,12,21H,5-8,11,13H2