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

Systemtic Name: (6E)-2-nitro-6-[[(2-oxidanyl-5-propyl-phenyl)amino]methylidene]-4-(phenylmethyl)cyclohexa-2,4-dien-1-one Openeye Name: (6E)-4-benzyl-6-[(2-hydroxy-5-propyl-anilino)methylene]-2-nitro-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[(2-hydroxy-5-propylanilino)methylidene]-2-nitro-4-(phenylmethyl)-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-4-benzyl-6-[(2-hydroxy-5-propylanilino)methylidene]-2-nitrocyclohexa-2,4-dien-1-one Traditional Name: (6E)-4-benzyl-6-[(2-hydroxy-5-propyl-anilino)methylene]-2-nitro-cyclohexa-2,4-dien-1-one Formula: C23H22N2O4 MolecularWeight: 390.43178

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=C(C=C1)O)NC=C2C=C(C=C(C2=O)[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

CCCC1=CC(=C(C=C1)O)N/C=C/2\C=C(C=C(C2=O)[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C23H22N2O4/c1-2-6-16-9-10-22(26)20(13-16)24-15-19-12-18(11-17-7-4-3-5-8-17)14-21(23(19)27)25(28)29/h3-5,7-10,12-15,24,26H,2,6,11H2,1H3/b19-15+