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

Systemtic Name: (6E)-6-[[(2-methyl-4-oxidanyl-5-propan-2-yl-phenyl)amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[(4-hydroxy-5-isopropyl-2-methyl-anilino)methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[(4-hydroxy-2-methyl-5-propan-2-ylanilino)methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[(4-hydroxy-2-methyl-5-propan-2-ylanilino)methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[(4-hydroxy-5-isopropyl-2-methyl-anilino)methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)O)C(C)C)NC=C2C=C(C=CC2=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C(=C1)O)C(C)C)N/C=C/2\C=C(C=CC2=O)[N+](=O)[O-]

InChI

InChI=1S/C17H18N2O4/c1-10(2)14-8-15(11(3)6-17(14)21)18-9-12-7-13(19(22)23)4-5-16(12)20/h4-10,18,21H,1-3H3/b12-9+