4-nitro-6-[[(2-oxidanyl-5-propyl-phenyl)amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 4-nitro-6-[[(2-oxidanyl-5-propyl-phenyl)amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[(2-hydroxy-5-propyl-anilino)methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[(2-hydroxy-5-propylanilino)methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[(2-hydroxy-5-propylanilino)methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[(2-hydroxy-5-propyl-anilino)methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C16H16N2O4 MolecularWeight: 300.30924

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)O)NC=C2C=C(C=CC2=O)[N+](=O)[O-]

Isomeric SMILES

CCCC1=CC(=C(C=C1)O)NC=C2C=C(C=CC2=O)[N+](=O)[O-]

InChI

InChI=1S/C16H16N2O4/c1-2-3-11-4-6-16(20)14(8-11)17-10-12-9-13(18(21)22)5-7-15(12)19/h4-10,17,20H,2-3H2,1H3