6-[[(5-nitro-2-oxidanyl-phenyl)methylamino]methylidene]-3-propoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[(5-nitro-2-oxidanyl-phenyl)methylamino]methylidene]-3-propoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[(2-hydroxy-5-nitro-phenyl)methylamino]methylene]-3-propoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[(2-hydroxy-5-nitrophenyl)methylamino]methylidene]-3-propoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[(2-hydroxy-5-nitrophenyl)methylamino]methylidene]-3-propoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[(2-hydroxy-5-nitro-benzyl)amino]methylene]-3-propoxy-cyclohexa-2,4-dien-1-one Formula: C17H18N2O5 MolecularWeight: 330.33522

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC(=O)C(=CNCC2=C(C=CC(=C2)[N+](=O)[O-])O)C=C1

Isomeric SMILES

CCCOC1=CC(=O)C(=CNCC2=C(C=CC(=C2)[N+](=O)[O-])O)C=C1

InChI

InChI=1S/C17H18N2O5/c1-2-7-24-15-5-3-12(17(21)9-15)10-18-11-13-8-14(19(22)23)4-6-16(13)20/h3-6,8-10,18,20H,2,7,11H2,1H3