4-nitro-6-[[[4-[(5S,7R)-3-oxidanyl-1-adamantyl]phenyl]amino]methylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 4-nitro-6-[[[4-[(5S,7R)-3-oxidanyl-1-adamantyl]phenyl]amino]methylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[[4-[(5S,7R)-3-hydroxy-1-adamantyl]anilino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one CAS Name: 6-[[4-[(5S,7R)-3-hydroxy-1-adamantyl]anilino]methylidene]-4-nitro-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[4-[(5S,7R)-3-hydroxy-1-adamantyl]anilino]methylidene]-4-nitrocyclohexa-2,4-dien-1-one Traditional Name: 6-[[4-[(5S,7R)-3-hydroxy-1-adamantyl]anilino]methylene]-4-nitro-cyclohexa-2,4-dien-1-one Formula: C23H24N2O4 MolecularWeight: 392.44766

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C4=CC=C(C=C4)NC=C5C=C(C=CC5=O)[N+](=O)[O-]

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)O)C4=CC=C(C=C4)NC=C5C=C(C=CC5=O)[N+](=O)[O-]

InChI

InChI=1S/C23H24N2O4/c26-21-6-5-20(25(28)29)8-17(21)13-24-19-3-1-18(2-4-19)22-9-15-7-16(10-22)12-23(27,11-15)14-22/h1-6,8,13,15-16,24,27H,7,9-12,14H2/t15-,16+,22?,23?