(6E)-6-[[(3,4-dimethylphenyl)amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one hydrate

Systemtic Name: (6E)-6-[[(3,4-dimethylphenyl)amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one hydrate Openeye Name: (6E)-6-[(3,4-dimethylanilino)methylene]-4-nitro-cyclohexa-2,4-dien-1-one hydrate CAS Name: (6E)-6-[(3,4-dimethylanilino)methylidene]-4-nitro-1-cyclohexa-2,4-dienone hydrate IUPAC Name: (6E)-6-[(3,4-dimethylanilino)methylidene]-4-nitrocyclohexa-2,4-dien-1-one hydrate Traditional Name: (6E)-6-[(3,4-dimethylanilino)methylene]-4-nitro-cyclohexa-2,4-dien-1-one hydrate Formula: C15H16N2O4 MolecularWeight: 288.29854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N2O3.H2O/c1-10-3-4-13(7-11(10)2)16-9-12-8-14(17(19)20)5-6-15(12)18;/h3-9,16H,1-2H3;1H2/b12-9+;