6-[[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-4-nitro-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]amino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]amino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[[2-(3,5-dimethylphenyl)-1,3-benzoxazol-5-yl]amino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C22H17N3O4 MolecularWeight: 387.38808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C2=NC3=C(O2)C=CC(=C3)NC=C4C=C(C=CC4=O)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=CC(=C1)C2=NC3=C(O2)C=CC(=C3)NC=C4C=C(C=CC4=O)[N+](=O)[O-])C

InChI

InChI=1S/C22H17N3O4/c1-13-7-14(2)9-15(8-13)22-24-19-11-17(3-6-21(19)29-22)23-12-16-10-18(25(27)28)4-5-20(16)26/h3-12,23H,1-2H3